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

C10H11ClN4O2S — CID 103406894

IUPAC3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCc1csc(-c2nnnn2CC(C)C(=O)O)c1Cl
InChIInChI=1S/C10H11ClN4O2S/c1-5(10(16)17)3-15-9(12-13-14-15)8-7(11)6(2)4-18-8/h4-5H,3H2,1-2H3,(H,16,17)
InChIKeyUOPNIMHTEQVQIB-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.08
Rot. Bonds4

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

3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid (PubChem CID 103406894) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is 3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
PubChem CID103406894
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC Name3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCc1csc(-c2nnnn2CC(C)C(=O)O)c1Cl
InChIInChI=1S/C10H11ClN4O2S/c1-5(10(16)17)3-15-9(12-13-14-15)8-7(11)6(2)4-18-8/h4-5H,3H2,1-2H3,(H,16,17)
InChIKeyUOPNIMHTEQVQIB-UHFFFAOYSA-N
XLogP2.08
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic 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 3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid (CID 103406894) is 3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid is Cc1csc(-c2nnnn2CC(C)C(=O)O)c1Cl.
What is the InChIKey of 3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is UOPNIMHTEQVQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c1-5(10(16)17)3-15-9(12-13-14-15)8-7(11)6(2)4-18-8/h4-5H,3H2,1-2H3,(H,16,17).
What are the key properties of 3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid?
3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 286.74 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chloro-4-methylthiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 103406894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).