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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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2-Aminoetil diisopropilamina

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CAS Number

121-05-1

End Use API

Acotiamide

About the Company

MENADIONA is an independent privately-owned company, founded in 1970. Ever since, the company has been in...

MENADIONA is an independent privately-owned company, founded in 1970. Ever since, the company has been involved in manufacturing active ingredients (APIs) and key intermediates for the Pharmaceutical, Veterinary, Plant Health and Nutraceutical industries. In addition, Aziridine and its derivatives is one of the most outstanding business units for MENADIONA. Besides, we offer custom and contract manufacturing services through our Fine Chemical Division. With a highly qualified team and two manufacturing plants in Spain, MENADIONA is characterized by its strong worldwide export volume, which accounts for more than 80% of its sales.

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