2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid

C8H10N2O2S2 — CID 63099108

IUPAC2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Sc1nncs1
InChIInChI=1S/C8H10N2O2S2/c11-7(12)5-2-1-3-6(5)14-8-10-9-4-13-8/h4-6H,1-3H2,(H,11,12)
InChIKeyTXLDXOMOVOBKNB-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.88
Rot. Bonds3

About 2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid

2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid (PubChem CID 63099108) has the molecular formula C8H10N2O2S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid
PubChem CID63099108
Molecular FormulaC8H10N2O2S2
Molecular Weight230.31 g/mol
Exact Mass230.02
IUPAC Name2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Sc1nncs1
InChIInChI=1S/C8H10N2O2S2/c11-7(12)5-2-1-3-6(5)14-8-10-9-4-13-8/h4-6H,1-3H2,(H,11,12)
InChIKeyTXLDXOMOVOBKNB-UHFFFAOYSA-N
XLogP1.88
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic 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-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 63100311
N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine
CID 64648995
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptane-1-carboxylic acid
CID 63097731
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 63100140
2-(4-chlorophenyl)sulfanylcyclopentane-1-carboxylic acid
CID 63099604
N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine
CID 64648022
2-(4,6-diaminopyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid
CID 63098272
cis-(1S,2R)-2-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 868773
2-(7H-purin-6-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 63098084
2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid
CID 55180519
1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one
CID 127002454
2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
CID 79357335

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid (CID 63099108) is 2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1Sc1nncs1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid?
The InChIKey is TXLDXOMOVOBKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S2/c11-7(12)5-2-1-3-6(5)14-8-10-9-4-13-8/h4-6H,1-3H2,(H,11,12).
What are the key properties of 2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid?
2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid has a molecular weight of 230.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63099108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).