2-Amino-5-ethylthiazole - CAS 39136-60-2

Catalog:	BB023855
Product Name:	2-Amino-5-ethylthiazole
CAS:	39136-60-2
Synonyms:	5-ethyl-2-thiazolamine; 5-ethyl-1,3-thiazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	5-ethyl-1,3-thiazol-2-amine
Description:	2-Amino-5-ethylthiazole (CAS# 39136-60-2) is a useful research chemical.
Molecular Weight:	128.20
Molecular Formula:	C5H8N2S
Canonical SMILES:	CCC1=CN=C(S1)N
InChI:	InChI=1S/C5H8N2S/c1-2-4-3-7-5(6)8-4/h3H,2H2,1H3,(H2,6,7)
InChI Key:	HNOGSSUZDLBROJ-UHFFFAOYSA-N
Boiling Point:	241.88 °C at 760 mmHg
Density:	1.196 g/cm³
LogP:	1.86890

Publication Number	Title	Priority Date
KR-20210116323-A	Novel compounds of inhibiting cdk7, and their pharmaceutically acceptable salts	20200313
WO-2021182914-A1	Novel cdk7 inhibitory compound or pharmaceutically acceptable salt thereof	20200313
WO-2021069705-A1	Isoindolinone compounds	20191009
KR-20200032002-A	Novel thiazole derivatives and pharmaceutically acceptable salts thereof	20180917
WO-2020060112-A1	Novel thiazole derivatives and pharmaceutically acceptable salts thereof	20180917

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	76.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.04081944
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.04081944
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4