4-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}pyrimidin-2-amine

4-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}pyrimidin-2-amine

CAS: 499795-87-8

Formula: C15H11F3N4S

SMILES: CC1=C(SC(=N1)C1=CC(=CC=C1)C(F)(F)F)C1=NC(N)=NC=C1

IUPAC: 4-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}pyrimidin-2-amine

InChI: InChI=1S/C15H11F3N4S/c1-8-12(11-5-6-20-14(19)22-11)23-13(21-8)9-3-2-4-10(7-9)15(16,17)18/h2-7H,1H3,(H2,19,20,22)

Composition: C (53.57%), H (3.30%), F (16.95%), N (16.66%), S (9.53%)

Molar Mass: 336.34

Atom Count: 34

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	336.065652033
Formal Charge	0
FSP3	0.13
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	AOSWUVBMSLLGKO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.79
Topological Polar Surface Area	64.69
Polarizability	31.46
Ring Count	3
Rotatable Bond Count	3

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