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

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

Formula: C16H13N3OS

SMILES: CC1=CC=C(C=C1)C1=NN=C(NC(=O)C2=CC=CC=C2)S1

IUPAC: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

InChI: InChI=1S/C16H13N3OS/c1-11-7-9-13(10-8-11)15-18-19-16(21-15)17-14(20)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19,20)

Composition: C (65.07%), H (4.44%), N (14.23%), O (5.42%), S (10.85%)

Molar Mass: 295.36

Atom Count: 34

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 295.077933225
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SIHYHKOFZPWMHZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.54
Topological Polar Surface Area 54.88
Polarizability 31.9
Ring Count 3
Rotatable Bond Count 3

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C16H13N3OS Quote Only