2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide

C19H13ClN4S — CID 82565734

IUPAC2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
SMILESNC(=S)c1ccc(-c2ccccc2)n2nc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C19H13ClN4S/c20-14-8-4-7-13(11-14)18-22-19-15(17(21)25)9-10-16(24(19)23-18)12-5-2-1-3-6-12/h1-11H,(H2,21,25)
InChIKeyOBQCHYKUZXCGPO-UHFFFAOYSA-N
MW364.86 g/mol
LogP4.35
Rot. Bonds3

About 2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide

2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide (PubChem CID 82565734) has the molecular formula C19H13ClN4S and a molecular weight of 364.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
PubChem CID82565734
Molecular FormulaC19H13ClN4S
Molecular Weight364.86 g/mol
Exact Mass364.05
IUPAC Name2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
SMILESNC(=S)c1ccc(-c2ccccc2)n2nc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C19H13ClN4S/c20-14-8-4-7-13(11-14)18-22-19-15(17(21)25)9-10-16(24(19)23-18)12-5-2-1-3-6-12/h1-11H,(H2,21,25)
InChIKeyOBQCHYKUZXCGPO-UHFFFAOYSA-N
XLogP4.35
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565824
2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565629
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565674
5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565759
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565974
methyl 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565527
5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 173089309
2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
CID 82481023
3-chloro-N-(8-methoxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
CID 23559748
5-(3-chlorophenyl)-2-methyl-1,2,4-triazole-3-carboxylic acid
CID 83897712
2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 163798613
2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565773

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide?
The IUPAC name of 2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide (CID 82565734) is 2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide.
What is the SMILES notation for 2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide is NC(=S)c1ccc(-c2ccccc2)n2nc(-c3cccc(Cl)c3)nc12.
What is the InChIKey of 2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide?
The InChIKey is OBQCHYKUZXCGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4S/c20-14-8-4-7-13(11-14)18-22-19-15(17(21)25)9-10-16(24(19)23-18)12-5-2-1-3-6-12/h1-11H,(H2,21,25).
What are the key properties of 2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide?
2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide has a molecular weight of 364.86 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide is sourced from PubChem (CID 82565734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).