N-[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide

N-[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide

Formula: C18H15FN4O2S2

SMILES: CC1=CC(=CC=C1)C(=O)NC1=NN=C(SCC(=O)NC2=CC=C(F)C=C2)S1

IUPAC: N-[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide

InChI: InChI=1S/C18H15FN4O2S2/c1-11-3-2-4-12(9-11)16(25)21-17-22-23-18(27-17)26-10-15(24)20-14-7-5-13(19)6-8-14/h2-9H,10H2,1H3,(H,20,24)(H,21,22,25)

Composition: C (53.72%), H (3.76%), F (4.72%), N (13.92%), O (7.95%), S (15.93%)

Molar Mass: 402.46

Atom Count: 42

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	402.06204625
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	FDJCQFSHGJTBNW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.4
Topological Polar Surface Area	83.98
Polarizability	38.93
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H15FN4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00