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

C14H12N4O2S — CID 81156638

IUPAC1-[5-(1-benzothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2-c2cc3ccccc3s2)CCC1
InChIInChI=1S/C14H12N4O2S/c19-13(20)14(6-3-7-14)18-12(15-16-17-18)11-8-9-4-1-2-5-10(9)21-11/h1-2,4-5,8H,3,6-7H2,(H,19,20)
InChIKeySUWDGSQIXISDGE-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.52
Rot. Bonds3

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

1-[5-(1-benzothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (PubChem CID 81156638) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-[5-(1-benzothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(1-benzothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
PubChem CID81156638
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name1-[5-(1-benzothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2-c2cc3ccccc3s2)CCC1
InChIInChI=1S/C14H12N4O2S/c19-13(20)14(6-3-7-14)18-12(15-16-17-18)11-8-9-4-1-2-5-10(9)21-11/h1-2,4-5,8H,3,6-7H2,(H,19,20)
InChIKeySUWDGSQIXISDGE-UHFFFAOYSA-N
XLogP2.52
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(1-benzothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-(1-benzothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (CID 81156638) is 1-[5-(1-benzothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(1-benzothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-(1-benzothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is O=C(O)C1(n2nnnc2-c2cc3ccccc3s2)CCC1.
What is the InChIKey of 1-[5-(1-benzothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The InChIKey is SUWDGSQIXISDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c19-13(20)14(6-3-7-14)18-12(15-16-17-18)11-8-9-4-1-2-5-10(9)21-11/h1-2,4-5,8H,3,6-7H2,(H,19,20).
What are the key properties of 1-[5-(1-benzothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
1-[5-(1-benzothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-benzothiophen-2-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81156638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).