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N-(2-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)thiophene-2-carboxamide

N-(2-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)thiophene-2-carboxamide

Formula: C15H11N5OS2

SMILES: CC1=NN=C2SC(=NN12)C1=CC=CC=C1NC(=O)C1=CC=CS1

IUPAC: N-(2-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)thiophene-2-carboxamide

InChI: InChI=1S/C15H11N5OS2/c1-9-17-18-15-20(9)19-14(23-15)10-5-2-3-6-11(10)16-13(21)12-7-4-8-22-12/h2-8H,1H3,(H,16,21)

Composition: C (52.77%), H (3.25%), N (20.51%), O (4.69%), S (18.78%)

Molar Mass: 341.41

Atom Count: 34

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 341.040502342
Formal Charge 0
FSP3 0.07
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QNOMRFXJYOEMGL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 123.79
Topological Polar Surface Area 72.18
Polarizability 33.6
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H11N5OS2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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