2-chloro-N-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,3-thiazol-2-yl}pyridine-3-carboxamide

2-chloro-N-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,3-thiazol-2-yl}pyridine-3-carboxamide

CAS: 2062071-23-0

Formula: C15H7Cl2F3N4OS

SMILES: FC(F)(F)C1=CN=C(C2=CSC(NC(=O)C3=CC=CN=C3Cl)=N2)C(Cl)=C1

IUPAC: 2-chloro-N-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,3-thiazol-2-yl}pyridine-3-carboxamide

InChI: InChI=1S/C15H7Cl2F3N4OS/c16-9-4-7(15(18,19)20)5-22-11(9)10-6-26-14(23-10)24-13(25)8-2-1-3-21-12(8)17/h1-6H,(H,23,24,25)

Composition: C (42.98%), H (1.68%), Cl (16.91%), F (13.60%), N (13.37%), O (3.82%), S (7.65%)

Molar Mass: 419.2

Atom Count: 33

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	417.9669719
Formal Charge	0
FSP3	0.07
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ABLRJVWXAHWSJL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93
Topological Polar Surface Area	67.77
Polarizability	35.06
Ring Count	3
Rotatable Bond Count	4

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