4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid

C9H11N3O3S — CID 117214899

IUPAC4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid
SMILESO=C(NC1CCCC1)c1nnsc1C(=O)O
InChIInChI=1S/C9H11N3O3S/c13-8(10-5-3-1-2-4-5)6-7(9(14)15)16-12-11-6/h5H,1-4H2,(H,10,13)(H,14,15)
InChIKeyWRSCLAXMDURFMQ-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.91
Rot. Bonds3

About 4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid

4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid (PubChem CID 117214899) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid
PubChem CID117214899
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid
SMILESO=C(NC1CCCC1)c1nnsc1C(=O)O
InChIInChI=1S/C9H11N3O3S/c13-8(10-5-3-1-2-4-5)6-7(9(14)15)16-12-11-6/h5H,1-4H2,(H,10,13)(H,14,15)
InChIKeyWRSCLAXMDURFMQ-UHFFFAOYSA-N
XLogP0.91
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
5-amino-N-cyclopropylthiadiazole-4-carboxamide
CID 105441111
5-(cyclohexylcarbamoylamino)thiadiazole-4-carboxylic acid
CID 1499147
N-cyclohexyl-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 17037036
N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide
CID 79110286
N-cyclopropyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204623
N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide
CID 65205676
4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 113384238
4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide
CID 104982433
N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]benzamide
CID 35945644
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033078

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid?
The IUPAC name of 4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid (CID 117214899) is 4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid?
The canonical SMILES for 4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid is O=C(NC1CCCC1)c1nnsc1C(=O)O.
What is the InChIKey of 4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid?
The InChIKey is WRSCLAXMDURFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c13-8(10-5-3-1-2-4-5)6-7(9(14)15)16-12-11-6/h5H,1-4H2,(H,10,13)(H,14,15).
What are the key properties of 4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid?
4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylcarbamoyl)thiadiazole-5-carboxylic acid is sourced from PubChem (CID 117214899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).