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

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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).