2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid

C8H8N4O2S — CID 66372831

IUPAC2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCn2cnnc2)n1
InChIInChI=1S/C8H8N4O2S/c13-8(14)6-3-15-7(11-6)1-2-12-4-9-10-5-12/h3-5H,1-2H2,(H,13,14)
InChIKeyJYBYOFMUNFKDAZ-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.68
Rot. Bonds4

About 2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66372831) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66372831
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Name2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCn2cnnc2)n1
InChIInChI=1S/C8H8N4O2S/c13-8(14)6-3-15-7(11-6)1-2-12-4-9-10-5-12/h3-5H,1-2H2,(H,13,14)
InChIKeyJYBYOFMUNFKDAZ-UHFFFAOYSA-N
XLogP0.68
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372883
2-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372505
2-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 79689749
2-[2-(3-tert-butylazetidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 79688496
2-[2-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 121494646
2-[2-(morpholine-4-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373497
2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82302250
2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245279
2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 141208836
2-[2-[(1-methylpyrazol-3-yl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374301
2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379887
2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374878

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66372831) is 2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CCn2cnnc2)n1.
What is the InChIKey of 2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JYBYOFMUNFKDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c13-8(14)6-3-15-7(11-6)1-2-12-4-9-10-5-12/h3-5H,1-2H2,(H,13,14).
What are the key properties of 2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 224.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66372831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).