5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide

C14H12N4S — CID 82565759

IUPAC5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
SMILESCc1ccc(C(N)=S)c2nc(-c3ccccc3)nn12
InChIInChI=1S/C14H12N4S/c1-9-7-8-11(12(15)19)14-16-13(17-18(9)14)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,19)
InChIKeyTVLVEZWNXAUHLF-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.34
Rot. Bonds2

About 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide

5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide (PubChem CID 82565759) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
PubChem CID82565759
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
SMILESCc1ccc(C(N)=S)c2nc(-c3ccccc3)nn12
InChIInChI=1S/C14H12N4S/c1-9-7-8-11(12(15)19)14-16-13(17-18(9)14)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,19)
InChIKeyTVLVEZWNXAUHLF-UHFFFAOYSA-N
XLogP2.34
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide?
The IUPAC name of 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide (CID 82565759) is 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide.
What is the SMILES notation for 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide?
The canonical SMILES for 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide is Cc1ccc(C(N)=S)c2nc(-c3ccccc3)nn12.
What is the InChIKey of 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide?
The InChIKey is TVLVEZWNXAUHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-9-7-8-11(12(15)19)14-16-13(17-18(9)14)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,19).
What are the key properties of 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide?
5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide has a molecular weight of 268.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide is sourced from PubChem (CID 82565759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).