1-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid

C11H12N4O2S — CID 81167587

IUPAC1-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESCc1cscc1-c1nnnn1C1(C(=O)O)CCC1
InChIInChI=1S/C11H12N4O2S/c1-7-5-18-6-8(7)9-12-13-14-15(9)11(10(16)17)3-2-4-11/h5-6H,2-4H2,1H3,(H,16,17)
InChIKeyGDFFPWPZOOBNSH-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.67
Rot. Bonds3

About 1-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid

1-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (PubChem CID 81167587) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 1-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
PubChem CID81167587
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name1-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESCc1cscc1-c1nnnn1C1(C(=O)O)CCC1
InChIInChI=1S/C11H12N4O2S/c1-7-5-18-6-8(7)9-12-13-14-15(9)11(10(16)17)3-2-4-11/h5-6H,2-4H2,1H3,(H,16,17)
InChIKeyGDFFPWPZOOBNSH-UHFFFAOYSA-N
XLogP1.67
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(4-methylthiophen-3-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-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (CID 81167587) is 1-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is Cc1cscc1-c1nnnn1C1(C(=O)O)CCC1.
What is the InChIKey of 1-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The InChIKey is GDFFPWPZOOBNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-5-18-6-8(7)9-12-13-14-15(9)11(10(16)17)3-2-4-11/h5-6H,2-4H2,1H3,(H,16,17).
What are the key properties of 1-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
1-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).