CAS 78968-26-0 | 5-Thiazolecarboxylic acid, 2-amino-4-(1,1-dimethylethyl)-, ethyl ester | CAS Number 78968-26-0

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78968-26-0 | 5-Thiazolecarboxylic acid, 2-amino-4-(1,1-dimethylethyl)-, ethyl ester

CAS No: 78968-26-0 Catalog No: AG0054JN MDL No:

Product Description

Catalog Number:

AG0054JN

Chemical Name:

5-Thiazolecarboxylic acid, 2-amino-4-(1,1-dimethylethyl)-, ethyl ester

CAS Number:

78968-26-0

Molecular Formula:

C10H16N2O2S

Molecular Weight:

228.3112

IUPAC Name:

ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate

InChI:

InChI=1S/C10H16N2O2S/c1-5-14-8(13)6-7(10(2,3)4)12-9(11)15-6/h5H2,1-4H3,(H2,11,12)

InChI Key:

FHWBJUACHJHCLH-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1sc(nc1C(C)(C)C)N

Properties

Complexity:

240

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.31g/mol

Monoisotopic Mass:

228.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate and 6-methylimidazo[2,1-b]thiazole-2-amino-1,3-thiazole (1/1).	Acta crystallographica. Section C, Crystal structure communications 20040801