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5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

CAS: 1142210-50-1

Formula: C16H14N4OS

SMILES: CC1=CC=C(NC(=O)C2=NN=C(S2)C2=CC=C(N)C=C2)C=C1

IUPAC: 5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

InChI: InChI=1S/C16H14N4OS/c1-10-2-8-13(9-3-10)18-14(21)16-20-19-15(22-16)11-4-6-12(17)7-5-11/h2-9H,17H2,1H3,(H,18,21)

Composition: C (61.92%), H (4.55%), N (18.05%), O (5.15%), S (10.33%)

Molar Mass: 310.38

Atom Count: 36

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 310.088832261
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey WTGFBSLIPZFYSB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.24
Topological Polar Surface Area 80.9
Polarizability 33.05
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1142210-50-1 $202.14$202.14
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