2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid

C11H14N4O2S — CID 113416689

IUPAC2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid
SMILESCc1ccsc1-c1nnnn1C(C)C(C)C(=O)O
InChIInChI=1S/C11H14N4O2S/c1-6-4-5-18-9(6)10-12-13-14-15(10)8(3)7(2)11(16)17/h4-5,7-8H,1-3H3,(H,16,17)
InChIKeyBCKRDOVOJHJSHT-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.99
Rot. Bonds4

About 2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid

2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid (PubChem CID 113416689) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid
PubChem CID113416689
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid
SMILESCc1ccsc1-c1nnnn1C(C)C(C)C(=O)O
InChIInChI=1S/C11H14N4O2S/c1-6-4-5-18-9(6)10-12-13-14-15(10)8(3)7(2)11(16)17/h4-5,7-8H,1-3H3,(H,16,17)
InChIKeyBCKRDOVOJHJSHT-UHFFFAOYSA-N
XLogP1.99
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid
CID 114031520
3-[5-(5-iodothiophen-3-yl)tetrazol-1-yl]-2-methylbutanoic acid
CID 113416699
2-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]acetic acid
CID 19427362
3-[5-(3-bromo-2-pyridinyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 107526445
2-ethyl-2-[[5-(3-methylthiophen-2-yl)tetrazol-1-yl]methyl]butanoic acid
CID 115431506
3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid
CID 82225831
1-[[5-(3-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437204
2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid
CID 103123623
2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid
CID 67906464
4-[5-(3-bromothiophen-2-yl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541512
2-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 80641921
2-[[4-(2-methylpropyl)-5-(3-methylthiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115393130

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid (CID 113416689) is 2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid is Cc1ccsc1-c1nnnn1C(C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is BCKRDOVOJHJSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-6-4-5-18-9(6)10-12-13-14-15(10)8(3)7(2)11(16)17/h4-5,7-8H,1-3H3,(H,16,17).
What are the key properties of 2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid?
2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 266.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 113416689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).