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

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

Formula: C18H17N3O2S

SMILES: COC1=CC=C(CC2=NN=C(NC(=O)C3=CC=CC=C3C)S2)C=C1

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

InChI: InChI=1S/C18H17N3O2S/c1-12-5-3-4-6-15(12)17(22)19-18-21-20-16(24-18)11-13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3,(H,19,21,22)

Composition: C (63.70%), H (5.05%), N (12.38%), O (9.43%), S (9.45%)

Molar Mass: 339.41

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	339.104147973
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HRVQYEXUXCTFLL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.06
Topological Polar Surface Area	64.11
Polarizability	35.5
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H17N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00