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3-amino-N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide

CAS: 445267-60-7

Formula: C22H15ClN6OS3

SMILES: NC1=C(SC2=NC(=CC=C12)C1=CC=NC=C1)C(=O)NC1=NN=C(SCC2=C(Cl)C=CC=C2)S1

IUPAC: 3-amino-N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide

InChI: InChI=1S/C22H15ClN6OS3/c23-15-4-2-1-3-13(15)11-31-22-29-28-21(33-22)27-19(30)18-17(24)14-5-6-16(26-20(14)32-18)12-7-9-25-10-8-12/h1-10H,11,24H2,(H,27,28,30)

Composition: C (51.71%), H (2.96%), Cl (6.94%), N (16.45%), O (3.13%), S (18.82%)

Molar Mass: 511.03

Atom Count: 48

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 510.0158003
Formal Charge 0
FSP3 0.05
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey UAAZAPLVFIVYCW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 136.32
Topological Polar Surface Area 106.68
Polarizability 52.06
Ring Count 5
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 445267-60-7 $51.35-$86.31$51.35$63.37$86.31
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