2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid

C12H10N4O2S — CID 67906464

IUPAC2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nnnc1-c1scc2ccccc12
InChIInChI=1S/C12H10N4O2S/c1-7(12(17)18)16-11(13-14-15-16)10-9-5-3-2-4-8(9)6-19-10/h2-7H,1H3,(H,17,18)
InChIKeyDRXRRERBJXVNDZ-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.20
Rot. Bonds3

About 2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid

2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid (PubChem CID 67906464) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid
PubChem CID67906464
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nnnc1-c1scc2ccccc12
InChIInChI=1S/C12H10N4O2S/c1-7(12(17)18)16-11(13-14-15-16)10-9-5-3-2-4-8(9)6-19-10/h2-7H,1H3,(H,17,18)
InChIKeyDRXRRERBJXVNDZ-UHFFFAOYSA-N
XLogP2.20
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic 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-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid (CID 67906464) is 2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid is CC(C(=O)O)n1nnnc1-c1scc2ccccc12.
What is the InChIKey of 2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is DRXRRERBJXVNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-7(12(17)18)16-11(13-14-15-16)10-9-5-3-2-4-8(9)6-19-10/h2-7H,1H3,(H,17,18).
What are the key properties of 2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid?
2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 274.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 67906464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).