4-Acetyl-2-amino-5-methylthiazole - CAS 40353-62-6

Catalog:	BB024465
Product Name:	4-Acetyl-2-amino-5-methylthiazole
CAS:	40353-62-6
Synonyms:	1-(2-amino-5-methyl-4-thiazolyl)ethanone; 1-(2-amino-5-methyl-1,3-thiazol-4-yl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(2-amino-5-methyl-1,3-thiazol-4-yl)ethanone
Description:	4-Acetyl-2-amino-5-methylthiazole (CAS# 40353-62-6) is a useful research intermediate for the preparation of aminothiazoles.
Molecular Weight:	156.21
Molecular Formula:	C6H8N2OS
Canonical SMILES:	CC1=C(N=C(S1)N)C(=O)C
InChI:	InChI=1S/C6H8N2OS/c1-3(9)5-4(2)10-6(7)8-5/h1-2H3,(H2,7,8)
InChI Key:	WKWHVCYMDPRLLR-UHFFFAOYSA-N
Boiling Point:	312.8 °C at 760 mmHg
Density:	1.278 g/cm³
LogP:	1.81750

Publication Number	Title	Priority Date
BR-112016007563-A2	thiazolopyrimidinones as modulators of nmda activity	20131011
CA-2926830-A1	Thiazolopyrimidinones as modulators of nmda receptor activity	20131011
DK-3055315-T3	Thiazolopyrimidinones as modulators of NMDA receptor activity	20131011
EP-3055315-A1	Thiazolopyrimidinones as modulators of nmda receptor activity	20131011
EP-3055315-B1	Thiazolopyrimidinones as modulators of nmda receptor activity	20131011

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Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.03573406
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.03573406
Rotatable Bond Count:	1
Topological Polar Surface Area:	84.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1