N-[5-(2,5-dimethylphenoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide

N-[5-(2,5-dimethylphenoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide

Formula: C18H17N3O2S

SMILES: CC1=CC=C(C)C(OCC2=NN=C(NC(=O)C3=CC=CC=C3)S2)=C1

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

InChI: InChI=1S/C18H17N3O2S/c1-12-8-9-13(2)15(10-12)23-11-16-20-21-18(24-16)19-17(22)14-6-4-3-5-7-14/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	KYZKINPPNXVBOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.88
Topological Polar Surface Area	64.11
Polarizability	35.51
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