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CAS 185105-98-0 manufacturers and suppliers on PharmaCompass

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BWDNVLPYCMAUGL-UHFFFAOYSA-N
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 Weight 366.4 g/mol
Molecular Formula C16H18N2O6S
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass366.08855747 g/mol
Monoisotopic Mass366.08855747 g/mol
Topological Polar Surface Area124 Ų
Heavy Atom Count25
Formal Charge0
Complexity466
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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