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

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

CAS: 499795-95-8

Formula: C15H10BrF3N4S

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

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

InChI: InChI=1S/C15H10BrF3N4S/c1-7-12(11-10(16)6-21-14(20)23-11)24-13(22-7)8-3-2-4-9(5-8)15(17,18)19/h2-6H,1H3,(H2,20,21,23)

Composition: C (43.39%), H (2.43%), Br (19.24%), F (13.73%), N (13.49%), S (7.72%)

Molar Mass: 415.23

Atom Count: 34

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	413.976165
Formal Charge	0
FSP3	0.13
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OEHXFNZORGBZTI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.42
Topological Polar Surface Area	64.69
Polarizability	34.43
Ring Count	3
Rotatable Bond Count	3

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