3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid

C11H10Br2N4O2S — CID 107967114

IUPAC3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1-c1cc(Br)sc1Br
InChIInChI=1S/C11H10Br2N4O2S/c12-8-3-6(10(13)20-8)11-14-15-16-17(11)7(4-9(18)19)5-1-2-5/h3,5,7H,1-2,4H2,(H,18,19)
InChIKeyKIEQIYZZSOIHRO-UHFFFAOYSA-N
MW422.10 g/mol
LogP3.35
Rot. Bonds5

About 3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid

3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid (PubChem CID 107967114) has the molecular formula C11H10Br2N4O2S and a molecular weight of 422.10 g/mol. Its IUPAC name is 3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid
PubChem CID107967114
Molecular FormulaC11H10Br2N4O2S
Molecular Weight422.10 g/mol
Exact Mass419.89
IUPAC Name3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1-c1cc(Br)sc1Br
InChIInChI=1S/C11H10Br2N4O2S/c12-8-3-6(10(13)20-8)11-14-15-16-17(11)7(4-9(18)19)5-1-2-5/h3,5,7H,1-2,4H2,(H,18,19)
InChIKeyKIEQIYZZSOIHRO-UHFFFAOYSA-N
XLogP3.35
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-3-[5-(2,5-dibromothiophen-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

Related Compounds

3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid
CID 82003607
3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid
CID 82002253
3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid
CID 104643324
4-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 107967119
3-(5-cyclohexyltetrazol-1-yl)-3-cyclopropylpropanoic acid
CID 82002908
3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid
CID 82003198
3-cyclopropyl-3-[5-[(dimethylamino)methyl]tetrazol-1-yl]propanoic acid
CID 82002827
3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid
CID 107967102
3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 82002630
3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid
CID 106864525
3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 66041430
3-[5-(5-bromothiophen-3-yl)tetrazol-1-yl]-4-methylpentanoic acid
CID 107967109

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid (CID 107967114) is 3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid is O=C(O)CC(C1CC1)n1nnnc1-c1cc(Br)sc1Br.
What is the InChIKey of 3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is KIEQIYZZSOIHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4O2S/c12-8-3-6(10(13)20-8)11-14-15-16-17(11)7(4-9(18)19)5-1-2-5/h3,5,7H,1-2,4H2,(H,18,19).
What are the key properties of 3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid?
3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 422.10 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[5-(2,5-dibromothiophen-3-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 107967114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).