2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid

C10H10N4O3S — CID 66288772

IUPAC2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)NCc2ccsc2)nn1
InChIInChI=1S/C10H10N4O3S/c15-9(16)5-14-4-8(12-13-14)10(17)11-3-7-1-2-18-6-7/h1-2,4,6H,3,5H2,(H,11,17)(H,15,16)
InChIKeyCILORQBFPKIXSW-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.35
Rot. Bonds5

About 2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid

2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid (PubChem CID 66288772) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid
PubChem CID66288772
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)NCc2ccsc2)nn1
InChIInChI=1S/C10H10N4O3S/c15-9(16)5-14-4-8(12-13-14)10(17)11-3-7-1-2-18-6-7/h1-2,4,6H,3,5H2,(H,11,17)(H,15,16)
InChIKeyCILORQBFPKIXSW-UHFFFAOYSA-N
XLogP0.35
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid 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 2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid (CID 66288772) is 2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid is O=C(O)Cn1cc(C(=O)NCc2ccsc2)nn1.
What is the InChIKey of 2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid?
The InChIKey is CILORQBFPKIXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c15-9(16)5-14-4-8(12-13-14)10(17)11-3-7-1-2-18-6-7/h1-2,4,6H,3,5H2,(H,11,17)(H,15,16).
What are the key properties of 2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid?
2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid has a molecular weight of 266.28 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophen-3-ylmethylcarbamoyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 66288772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).