Name: Name:5-Thiazolecarboxylic acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester
Brand: Angene
SKU: AG001VEX
Rating: 90 (10 reviews)

5-Thiazolecarboxylic acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester

CAS No.:

160844-75-7

Catalog Number:

AG001VEX

Molecular Formula:

C18H20N2O3S

Molecular Weight:

344.4280

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Product Description

Catalog Number:

AG001VEX

Chemical Name:

5-Thiazolecarboxylic acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester

CAS Number:

160844-75-7

Molecular Formula:

C18H20N2O3S

Molecular Weight:

344.4280

MDL Number:

MFCD09833701

IUPAC Name:

ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate

InChI:

InChI=1S/C18H20N2O3S/c1-5-22-18(21)16-12(4)20-17(24-16)13-6-7-15(14(8-13)9-19)23-10-11(2)3/h6-8,11H,5,10H2,1-4H3

InChI Key:

OGAZOYHQFBSRMC-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1sc(nc1C)c1ccc(c(c1)C#N)OCC(C)C

EC Number:

927-913-5

Properties

Complexity:

476

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

344.119g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

344.429g/mol

Monoisotopic Mass:

344.119g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

100A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
2-[3-Cyano-4-(2-methyl-prop-oxy)phen-yl]-4-methyl-thia-zole-5-carboxylic acid pyridine solvate.	Acta crystallographica. Section E, Structure reports online 20091101

Properties