2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide

C13H17N3O2S2 — CID 54786564

IUPAC2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide
SMILESO=C(CC1CCCC1)NC(=S)NNC(=O)c1cccs1
InChIInChI=1S/C13H17N3O2S2/c17-11(8-9-4-1-2-5-9)14-13(19)16-15-12(18)10-6-3-7-20-10/h3,6-7,9H,1-2,4-5,8H2,(H,15,18)(H2,14,16,17,19)
InChIKeyBAQLHNBWHFPTQF-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.96
Rot. Bonds3

About 2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide

2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide (PubChem CID 54786564) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide
PubChem CID54786564
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide
SMILESO=C(CC1CCCC1)NC(=S)NNC(=O)c1cccs1
InChIInChI=1S/C13H17N3O2S2/c17-11(8-9-4-1-2-5-9)14-13(19)16-15-12(18)10-6-3-7-20-10/h3,6-7,9H,1-2,4-5,8H2,(H,15,18)(H2,14,16,17,19)
InChIKeyBAQLHNBWHFPTQF-UHFFFAOYSA-N
XLogP1.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide
CID 4507493
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide
CID 2381843
2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3324993
N-[4-[[(2-cyclopentylacetyl)carbamothioylamino]carbamoyl]phenyl]-3-methylbutanamide
CID 54786933
trans-(1R,2R)-2-[(thiophene-2-carbonylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 6544086
2-(2-nitrophenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide
CID 3327759
2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide
CID 54786283
3-bromo-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3324996
N-(cyclohexylmethyl)-2-[2-[(thiophene-2-carbonylamino)carbamoyl]phenyl]sulfanylacetamide
CID 18160095
2-(4-bromo-2-methylphenoxy)-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide
CID 3491325
1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid
CID 43441254

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide (CID 54786564) is 2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide is O=C(CC1CCCC1)NC(=S)NNC(=O)c1cccs1.
What is the InChIKey of 2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide?
The InChIKey is BAQLHNBWHFPTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c17-11(8-9-4-1-2-5-9)14-13(19)16-15-12(18)10-6-3-7-20-10/h3,6-7,9H,1-2,4-5,8H2,(H,15,18)(H2,14,16,17,19).
What are the key properties of 2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide?
2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide has a molecular weight of 311.43 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide is sourced from PubChem (CID 54786564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).