N-(1,3-benzothiazol-2-yl)-2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide

N-(1,3-benzothiazol-2-yl)-2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide

Formula: C17H11F3N4OS2

SMILES: CC1=NC(SCC(=O)NC2=NC3=CC=CC=C3S2)=C(C#N)C(=C1)C(F)(F)F

IUPAC: N-(1,3-benzothiazol-2-yl)-2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide

InChI: InChI=1S/C17H11F3N4OS2/c1-9-6-11(17(18,19)20)10(7-21)15(22-9)26-8-14(25)24-16-23-12-4-2-3-5-13(12)27-16/h2-6H,8H2,1H3,(H,23,24,25)

Composition: C (49.99%), H (2.71%), F (13.96%), N (13.72%), O (3.92%), S (15.70%)

Molar Mass: 408.42

Atom Count: 38

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	408.032637827
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BOEIAUSQVSTKFK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.31
Topological Polar Surface Area	78.67
Polarizability	36.98
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H11F3N4OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00