2-{5-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-1,2,4-triazol-3-yl}pyridine

2-{5-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-1,2,4-triazol-3-yl}pyridine

CAS: 344262-30-2

Formula: C12H8F3N5S

SMILES: CC1=NC(=C(S1)C1=NC(=NN1)C1=NC=CC=C1)C(F)(F)F

IUPAC: 2-{5-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-1,2,4-triazol-3-yl}pyridine

InChI: InChI=1S/C12H8F3N5S/c1-6-17-9(12(13,14)15)8(21-6)11-18-10(19-20-11)7-4-2-3-5-16-7/h2-5H,1H3,(H,18,19,20)

Composition: C (46.30%), H (2.59%), F (18.31%), N (22.50%), S (10.30%)

Molar Mass: 311.29

Atom Count: 29

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	311.045250941
Formal Charge	0
FSP3	0.17
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KOMAJQHKMIWYKT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.94
Topological Polar Surface Area	67.35
Polarizability	26.67
Ring Count	3
Rotatable Bond Count	3

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90%	<2 Days	344262-30-2		$51.35-$86.31$51.35$63.37$86.31