2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid

C10H12N4O2S — CID 66042769

IUPAC2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1CCCc1cccs1
InChIInChI=1S/C10H12N4O2S/c15-10(16)7-14-9(11-12-13-14)5-1-3-8-4-2-6-17-8/h2,4,6H,1,3,5,7H2,(H,15,16)
InChIKeyPSRBNPYMMNPRQC-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.99
Rot. Bonds6

About 2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid

2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid (PubChem CID 66042769) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid
PubChem CID66042769
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1CCCc1cccs1
InChIInChI=1S/C10H12N4O2S/c15-10(16)7-14-9(11-12-13-14)5-1-3-8-4-2-6-17-8/h2,4,6H,1,3,5,7H2,(H,15,16)
InChIKeyPSRBNPYMMNPRQC-UHFFFAOYSA-N
XLogP0.99
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic 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-[5-[2-(3-methylphenyl)ethyl]tetrazol-1-yl]acetic acid
CID 66040764
2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid
CID 21480801
2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid
CID 84759092
1-(2-thiophen-2-ylethyl)tetrazol-5-amine
CID 79506694
1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-one
CID 106464403
1-(carboxymethyl)-5-thiophen-2-yltriazole-4-carboxylic acid
CID 82202307
6-thiophen-2-ylhexanamide
CID 137320292
2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid
CID 139677811
1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone
CID 17394088
ethyl 1-methyl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-carboxylate
CID 63382371
5-methyl-1-(2-thiophen-2-ylethyl)triazole-4-carboxylic acid
CID 63775016
4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
CID 174398681

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid (CID 66042769) is 2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1CCCc1cccs1.
What is the InChIKey of 2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid?
The InChIKey is PSRBNPYMMNPRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c15-10(16)7-14-9(11-12-13-14)5-1-3-8-4-2-6-17-8/h2,4,6H,1,3,5,7H2,(H,15,16).
What are the key properties of 2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid?
2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid has a molecular weight of 252.30 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66042769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).