5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid

C10H11N3O2S — CID 63775016

IUPAC5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nnn1CCc1cccs1
InChIInChI=1S/C10H11N3O2S/c1-7-9(10(14)15)11-12-13(7)5-4-8-3-2-6-16-8/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyYWUFJULOKUGXRU-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.59
Rot. Bonds4

About 5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid

5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid (PubChem CID 63775016) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid
PubChem CID63775016
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nnn1CCc1cccs1
InChIInChI=1S/C10H11N3O2S/c1-7-9(10(14)15)11-12-13(7)5-4-8-3-2-6-16-8/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyYWUFJULOKUGXRU-UHFFFAOYSA-N
XLogP1.59
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-(2-thiophen-2-ylethyl)triazole-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-methylpropyl 5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylate
CID 103112964
5-methyl-1-(2-pyridin-4-ylethyl)triazole-4-carboxylic acid
CID 62054198
5-phenyl-1-(thiophen-2-ylmethyl)triazole-4-carboxylic acid
CID 102642594
tert-butyl 5-methyl-1-(thiophen-2-ylmethyl)triazole-4-carboxylate
CID 103112659
1-decyl-5-methyltriazole-4-carboxylic acid
CID 55049001
1-ethyl-5-thiophen-2-yltriazole-4-carboxylic acid
CID 82207138
1-(2-thiophen-2-ylethyl)tetrazol-5-amine
CID 79506694
5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid
CID 62054566
1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone
CID 79106807
4-methyl-2-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-one
CID 86797131
1-[3-(4-ethoxyphenoxy)propyl]-5-methyltriazole-4-carboxylic acid
CID 82224224
1-(carboxymethyl)-5-thiophen-2-yltriazole-4-carboxylic acid
CID 82202307

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid (CID 63775016) is 5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid is Cc1c(C(=O)O)nnn1CCc1cccs1.
What is the InChIKey of 5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid?
The InChIKey is YWUFJULOKUGXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-7-9(10(14)15)11-12-13(7)5-4-8-3-2-6-16-8/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid?
5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid is sourced from PubChem (CID 63775016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).