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N-{5-[(1E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide

N-{5-[(1E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide

Formula: C16H13N3O2S2

SMILES: COC1=CC=C(C=CC2=NN=C(NC(=O)C3=CC=CS3)S2)C=C1

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

InChI: InChI=1S/C16H13N3O2S2/c1-21-12-7-4-11(5-8-12)6-9-14-18-19-16(23-14)17-15(20)13-3-2-10-22-13/h2-10H,1H3,(H,17,19,20)/b9-6+

Composition: C (55.96%), H (3.82%), N (12.24%), O (9.32%), S (18.67%)

Molar Mass: 343.42

Atom Count: 36

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 343.044919019
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey CFZMHKZULPJSCR-RMKNXTFCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.61
Topological Polar Surface Area 64.11
Polarizability 34.13
Ring Count 3
Rotatable Bond Count 5

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H13N3O2S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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