2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid

C9H10N4O2S — CID 79818337

IUPAC2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid
SMILESCc1cscc1-c1nnnn1C(C)C(=O)O
InChIInChI=1S/C9H10N4O2S/c1-5-3-16-4-7(5)8-10-11-12-13(8)6(2)9(14)15/h3-4,6H,1-2H3,(H,14,15)
InChIKeyXQFBKONZKZWSSV-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.36
Rot. Bonds3

About 2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid

2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid (PubChem CID 79818337) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid
PubChem CID79818337
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid
SMILESCc1cscc1-c1nnnn1C(C)C(=O)O
InChIInChI=1S/C9H10N4O2S/c1-5-3-16-4-7(5)8-10-11-12-13(8)6(2)9(14)15/h3-4,6H,1-2H3,(H,14,15)
InChIKeyXQFBKONZKZWSSV-UHFFFAOYSA-N
XLogP1.36
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4-methylthiophen-3-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-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid (CID 79818337) is 2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid is Cc1cscc1-c1nnnn1C(C)C(=O)O.
What is the InChIKey of 2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is XQFBKONZKZWSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-5-3-16-4-7(5)8-10-11-12-13(8)6(2)9(14)15/h3-4,6H,1-2H3,(H,14,15).
What are the key properties of 2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid?
2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 238.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 79818337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).