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

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

Formula: C12H12ClN3OS

SMILES: CCC(=O)NC1=NN=C(CC2=CC=C(Cl)C=C2)S1

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

InChI: InChI=1S/C12H12ClN3OS/c1-2-10(17)14-12-16-15-11(18-12)7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,16,17)

Composition: C (51.15%), H (4.29%), Cl (12.58%), N (14.91%), O (5.68%), S (11.38%)

Molar Mass: 281.76

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 281.0389609
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KKWUGVHFZCVXHL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.32
Topological Polar Surface Area 54.88
Polarizability 27.26
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H12ClN3OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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