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

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

Formula: C13H14FN3OS2

SMILES: CCC(=O)NC1=NN=C(CSCC2=CC=C(F)C=C2)S1

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

InChI: InChI=1S/C13H14FN3OS2/c1-2-11(18)15-13-17-16-12(20-13)8-19-7-9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3,(H,15,17,18)

Composition: C (50.14%), H (4.53%), F (6.10%), N (13.49%), O (5.14%), S (20.59%)

Molar Mass: 311.39

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	311.056232594
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	INXXEMHZYRJDHR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.15
Topological Polar Surface Area	54.88
Polarizability	30.05
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H14FN3OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00