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

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

CAS: 866009-33-8

Formula: C12H10ClN3S

SMILES: ClC1=NSC(NCCC2=CC=CC=C2)=C1C#N

IUPAC: 3-chloro-5-[(2-phenylethyl)amino]-1,2-thiazole-4-carbonitrile

InChI: InChI=1S/C12H10ClN3S/c13-11-10(8-14)12(17-16-11)15-7-6-9-4-2-1-3-5-9/h1-5,15H,6-7H2

Composition: C (54.65%), H (3.82%), Cl (13.44%), N (15.93%), S (12.16%)

Molar Mass: 263.74

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	263.0283962
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BOLGJEONPMUAMD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.31
Topological Polar Surface Area	48.71
Polarizability	26.27
Ring Count	2
Rotatable Bond Count	4

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