5-Aminothiazole-4-carboxamide - CAS 5539-46-8

Catalog:	BB029024
Product Name:	5-Aminothiazole-4-carboxamide
CAS:	5539-46-8
Synonyms:	5-amino-4-thiazolecarboxamide; 5-amino-1,3-thiazole-4-carboxamide

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Computed Properties

IUPAC Name:	5-amino-1,3-thiazole-4-carboxamide
Description:	5-Aminothiazole-4-carboxamide (CAS# 5539-46-8) is a useful research chemical.
Molecular Weight:	143.17
Molecular Formula:	C4H5N3OS
Canonical SMILES:	C1=NC(=C(S1)N)C(=O)N
InChI:	InChI=1S/C4H5N3OS/c5-3(8)2-4(6)9-1-7-2/h1H,6H2,(H2,5,8)
InChI Key:	RMTWCCFQMSROIY-UHFFFAOYSA-N
LogP:	1.10570

Publication Number	Title	Priority Date
CN-103709119-A	Preparation method of 5-aminothiazole-4-formamide	20131204
CN-103709119-B	Preparation method of 5-aminothiazole-4-formamide	20131204
MX-2007008410-A	DERIVATIVES OF TIAZOL-4-CARBOXAMIDE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEIVER 5-.	20050114

PMID	Publication Date	Title	Journal
17994660	20080101	Metabolite identification via LC-SPE-NMR-MS of the in vitro biooxidation products of a lead mGlu5 allosteric antagonist and impact on the improvement of metabolic stability in the series	ChemMedChem

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.01533297
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	143.01533297
Rotatable Bond Count:	1
Topological Polar Surface Area:	110 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4