5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-amine

5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-amine

CAS: 300819-51-6

Formula: C11H9F3N2S

SMILES: NC1=NC=C(CC2=CC(=CC=C2)C(F)(F)F)S1

IUPAC: 5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-amine

InChI: InChI=1S/C11H9F3N2S/c12-11(13,14)8-3-1-2-7(4-8)5-9-6-16-10(15)17-9/h1-4,6H,5H2,(H2,15,16)

Composition: C (51.16%), H (3.51%), F (22.07%), N (10.85%), S (12.41%)

Molar Mass: 258.26

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	258.043853961
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PABVEFOBZBIMQV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.09
Topological Polar Surface Area	38.91
Polarizability	21.78
Ring Count	2
Rotatable Bond Count	3

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