2-Chlorothiazole-4-carbonitrile - CAS 944124-72-5

Catalog:	BB041304
Product Name:	2-Chlorothiazole-4-carbonitrile
CAS:	944124-72-5
Synonyms:	2-chloro-4-thiazolecarbonitrile; 2-chloro-1,3-thiazole-4-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-1,3-thiazole-4-carbonitrile
Description:	2-Chlorothiazole-4-carbonitrile (CAS# 944124-72-5) is a useful research chemical compound.
Molecular Weight:	144.58
Molecular Formula:	C4HClN2S
Canonical SMILES:	C1=C(N=C(S1)Cl)C#N
InChI:	InChI=1S/C4HClN2S/c5-4-7-3(1-6)2-8-4/h2H
InChI Key:	FCILLILKWVXPDW-UHFFFAOYSA-N
LogP:	1.66818

Publication Number	Title	Priority Date
KR-20150054795-A	6-amino acid heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis b virus infection	20120910
US-2011275607-A1	Nuclear transport modulators and uses thereof	20100305
US-2014155370-A1	Nuclear transport modulators and uses thereof	20100305
US-8513230-B2	Nuclear transport modulators and uses thereof	20100305
WO-2011109799-A1	Nuclear transport modulatiors and uses thereof	20100305

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Oxazole/Thiazole

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Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.9548969
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	143.9548969
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2