5-(Aminomethyl)-2,4-dimethylthiazole - CAS 165736-07-2

Catalog:	BB012212
Product Name:	5-(Aminomethyl)-2,4-dimethylthiazole
CAS:	165736-07-2
Synonyms:	(2,4-dimethyl-5-thiazolyl)methanamine; (2,4-dimethyl-1,3-thiazol-5-yl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(2,4-dimethyl-1,3-thiazol-5-yl)methanamine
Description:	5-(Aminomethyl)-2,4-dimethylthiazole (CAS# 165736-07-2) is a useful research chemical.
Molecular Weight:	142.22
Molecular Formula:	C6H10N2S
Canonical SMILES:	CC1=C(SC(=N1)C)CN
InChI:	InChI=1S/C6H10N2S/c1-4-6(3-7)9-5(2)8-4/h3,7H2,1-2H3
InChI Key:	ODTDYSAMTDHVSL-UHFFFAOYSA-N
Boiling Point:	243.3 °C at 760 mmHg
Density:	1.14 g/cm³
MDL:	MFCD12026783
LogP:	1.91890

Publication Number	Title	Priority Date
US-2020247819-A1	Tri-cycle compound and applications thereof	20170223
EP-3587420-B1	Tri-cycle compound and applications thereof	20170223
WO-2018119266-A1	Benzooxazole derivatives as immunomodulators	20161222
AU-2016361441-A1	Bicyclic BET bromodomain inhibitors and uses thereof	20151125
CA-3006300-A1	Bicyclic bet bromodomain inhibitors and uses thereof	20151125

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	97.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.05646950
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.05646950
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6