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

C11H13BrN4O3S — CID 103160447

IUPAC4-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1-c1cc(C)c(Br)s1
InChIInChI=1S/C11H13BrN4O3S/c1-6-3-8(20-10(6)12)11-13-14-15-16(11)5-7(19-2)4-9(17)18/h3,7H,4-5H2,1-2H3,(H,17,18)
InChIKeyHNNWFHWKLYZHJM-UHFFFAOYSA-N
MW361.22 g/mol
LogP1.96
Rot. Bonds6

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

4-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid (PubChem CID 103160447) has the molecular formula C11H13BrN4O3S and a molecular weight of 361.22 g/mol. Its IUPAC name is 4-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid
PubChem CID103160447
Molecular FormulaC11H13BrN4O3S
Molecular Weight361.22 g/mol
Exact Mass359.99
IUPAC Name4-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1-c1cc(C)c(Br)s1
InChIInChI=1S/C11H13BrN4O3S/c1-6-3-8(20-10(6)12)11-13-14-15-16(11)5-7(19-2)4-9(17)18/h3,7H,4-5H2,1-2H3,(H,17,18)
InChIKeyHNNWFHWKLYZHJM-UHFFFAOYSA-N
XLogP1.96
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic 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

4-[5-(4,5-dimethylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160426
4-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 107967119
4-[5-(5-bromo-2-methylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160599
3-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]propanoic acid
CID 79996347
4-[5-(3,5-dichlorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160413
4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160591
4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160348
4-[5-(2-chloro-3-methylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160482
3-methoxy-4-[5-(2-methylfuran-3-yl)tetrazol-1-yl]butanoic acid
CID 103160595
3-methoxy-4-[5-(4-methylsulfanylphenyl)tetrazol-1-yl]butanoic acid
CID 103160384
1-[[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447220
3-methoxy-4-[5-(2-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
CID 103160464

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid?
The IUPAC name of 4-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid (CID 103160447) is 4-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid?
The canonical SMILES for 4-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid is COC(CC(=O)O)Cn1nnnc1-c1cc(C)c(Br)s1.
What is the InChIKey of 4-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid?
The InChIKey is HNNWFHWKLYZHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O3S/c1-6-3-8(20-10(6)12)11-13-14-15-16(11)5-7(19-2)4-9(17)18/h3,7H,4-5H2,1-2H3,(H,17,18).
What are the key properties of 4-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid?
4-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid has a molecular weight of 361.22 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid is sourced from PubChem (CID 103160447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).