BWDNVLPYCMAUGL-UHFFFAOYSA-N

Chemistry, 1 End Use API, 12 Related Intermediates

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Also known as: 185105-98-0, Ethyl 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate, 4-thiazolecarboxylic acid, 2-[(2,4,5-trimethoxybenzoyl)amino]-, ethyl ester, Acotiamide related compound 12, Schembl6313414, Ac-36644

Molecular Formula

C₁₆H₁₈N₂O₆S

Molecular Weight

366.4 g/mol

InChI Key

BWDNVLPYCMAUGL-UHFFFAOYSA-N

1 2D Structure

BWDNVLPYCMAUGL-UHFFFAOYSA-N

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate

2.1.2 InChI

InChI=1S/C16H18N2O6S/c1-5-24-15(20)10-8-25-16(17-10)18-14(19)9-6-12(22-3)13(23-4)7-11(9)21-2/h6-8H,5H2,1-4H3,(H,17,18,19)

2.1.3 InChI Key

BWDNVLPYCMAUGL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2OC)OC)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 185105-98-0

2. Ethyl 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate

3. 4-thiazolecarboxylic Acid, 2-[(2,4,5-trimethoxybenzoyl)amino]-, Ethyl Ester

4. Acotiamide Related Compound 12

5. Schembl6313414

6. Ac-36644

7. Bs-51340

8. Db-116516

9. E85302

10. A921104

11. Ethyl2-(2,4,5-trimethoxybenzamido)thiazole-4-carboxylate

12. 2-[n-(2,4,5-trimethoxybenzoyl)amino]-4-(ethoxycarbonyl)-1,3-thiazole

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₈N₂O₆S
Molecular Weight	366.4 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	366.08855747 g/mol
Monoisotopic Mass	366.08855747 g/mol
Topological Polar Surface Area	124 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	466
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Kimia Biosciences

Kimia Biosciences is an integrated global pharmaceutical company adhering to high standards of quality and compliance.

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Acotiamide

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CAS Number

185105-98-0

Intermediate Name

Ethyl 2-(2,4,5-trimethoxybenzamido)...

About the Company

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic se...

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia aims to become a globally recognized company in both APIs and FDFs while upholding clean business practices. Kimia's state-of-the-art facilities at Village Bhondsi, Gurugram enable it to produce a wide range of APIs. Kimia also plans to establish its own facilities for lifestyle segments, adhering to international regulatory standards. Kimia aims to provide the best pharmaceutical products and support to consumers and healthcare professionals.