4-chloro-2-[(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbonitrile

4-chloro-2-[(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbonitrile

CAS: 866155-98-8

Formula: C10H7ClN4S

SMILES: ClC1=C(SC(NCC2=NC=CC=C2)=N1)C#N

IUPAC: 4-chloro-2-{[(pyridin-2-yl)methyl]amino}-1,3-thiazole-5-carbonitrile

InChI: InChI=1S/C10H7ClN4S/c11-9-8(5-12)16-10(15-9)14-6-7-3-1-2-4-13-7/h1-4H,6H2,(H,14,15)

Composition: C (47.91%), H (2.81%), Cl (14.14%), N (22.35%), S (12.79%)

Molar Mass: 250.7

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	250.0079951
Formal Charge	0
FSP3	0.1
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KIHVGPIMBXSYFF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.24
Topological Polar Surface Area	61.6
Polarizability	23.65
Ring Count	2
Rotatable Bond Count	3

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