2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide

C19H12N6OS — CID 17497675

IUPAC2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nn2cnnc2s1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H12N6OS/c26-17(22-18-24-25-11-20-23-19(25)27-18)14-10-16(12-6-2-1-3-7-12)21-15-9-5-4-8-13(14)15/h1-11H,(H,22,24,26)
InChIKeyAYOBHDBQUFONIJ-UHFFFAOYSA-N
MW372.41 g/mol
LogP3.65
Rot. Bonds3

About 2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide

2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide (PubChem CID 17497675) has the molecular formula C19H12N6OS and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide
PubChem CID17497675
Molecular FormulaC19H12N6OS
Molecular Weight372.41 g/mol
Exact Mass372.08
IUPAC Name2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nn2cnnc2s1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H12N6OS/c26-17(22-18-24-25-11-20-23-19(25)27-18)14-10-16(12-6-2-1-3-7-12)21-15-9-5-4-8-13(14)15/h1-11H,(H,22,24,26)
InChIKeyAYOBHDBQUFONIJ-UHFFFAOYSA-N
XLogP3.65
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide with MolForge

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Related Compounds

2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 29369713
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3252476
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4609567
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 4181016
N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 51307625
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
2-(4-phenylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 3920428
N-(1,2-oxazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 899144
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2322249
2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 55810221
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55978013

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide (CID 17497675) is 2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide is O=C(Nc1nn2cnnc2s1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide?
The InChIKey is AYOBHDBQUFONIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6OS/c26-17(22-18-24-25-11-20-23-19(25)27-18)14-10-16(12-6-2-1-3-7-12)21-15-9-5-4-8-13(14)15/h1-11H,(H,22,24,26).
What are the key properties of 2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide?
2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline-4-carboxamide is sourced from PubChem (CID 17497675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).