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

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

Formula: C15H13N3O3S

SMILES: COC1=CC=C(CC2=NN=C(NC(=O)C3=CC=CO3)S2)C=C1

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

InChI: InChI=1S/C15H13N3O3S/c1-20-11-6-4-10(5-7-11)9-13-17-18-15(22-13)16-14(19)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,16,18,19)

Composition: C (57.13%), H (4.16%), N (13.33%), O (15.22%), S (10.17%)

Molar Mass: 315.35

Atom Count: 35

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 315.067762465
Formal Charge 0
FSP3 0.13
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey AKILLFQNTLYQHV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.41
Topological Polar Surface Area 77.25
Polarizability 30.68
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H13N3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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