3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide

3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide

Formula: C16H13FN2OS2

SMILES: FC1=CC=C(NC(=O)CCSC2=NC3=CC=CC=C3S2)C=C1

IUPAC: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide

InChI: InChI=1S/C16H13FN2OS2/c17-11-5-7-12(8-6-11)18-15(20)9-10-21-16-19-13-3-1-2-4-14(13)22-16/h1-8H,9-10H2,(H,18,20)

Composition: C (57.81%), H (3.94%), F (5.72%), N (8.43%), O (4.81%), S (19.29%)

Molar Mass: 332.41

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	332.045333558
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RBYGPKQICKFBGJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.69
Topological Polar Surface Area	41.99
Polarizability	34.67
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H13FN2OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00