3-cyclopentyl-1H-imidazole-2-thione

C8H12N2S — CID 29062795

IUPAC3-cyclopentyl-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1C1CCCC1
InChIInChI=1S/C8H12N2S/c11-8-9-5-6-10(8)7-3-1-2-4-7/h5-7H,1-4H2,(H,9,11)
InChIKeyVDALIJNEOCIQEA-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.66
Rot. Bonds1

About 3-cyclopentyl-1H-imidazole-2-thione

3-cyclopentyl-1H-imidazole-2-thione (PubChem CID 29062795) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 3-cyclopentyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-cyclopentyl-1H-imidazole-2-thione
PubChem CID29062795
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name3-cyclopentyl-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1C1CCCC1
InChIInChI=1S/C8H12N2S/c11-8-9-5-6-10(8)7-3-1-2-4-7/h5-7H,1-4H2,(H,9,11)
InChIKeyVDALIJNEOCIQEA-UHFFFAOYSA-N
XLogP2.66
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexyl-1,3-dihydro-2H-imidazole-2-thione
CID 3035127
1-Pentyl-1,3-dihydro-2H-imidazole-2-thione
CID 4214085
1-hexyl-1,3-dihydro-2H-imidazole-2-thione
CID 64183878
3-(4-fluorocyclohexyl)-1H-imidazole-2-thione
CID 44558368
3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione
CID 131196456
1-Sec-butyl-1h-imidazole-2-thiol
CID 22339095
3-butyl-3-methyl-1H-imidazol-3-ium-2-thione
CID 88434107
3-[(2R)-butan-2-yl]-1H-imidazole-2-thione
CID 33787886
3-[(2S)-butan-2-yl]-1H-imidazole-2-thione
CID 33787888
3-pentan-3-yl-1H-imidazole-2-thione
CID 33788209
3-cycloheptyl-1H-imidazole-2-thione
CID 43167784
3-heptan-2-yl-1H-imidazole-2-thione
CID 61467453

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1H-imidazole-2-thione?
The IUPAC name of 3-cyclopentyl-1H-imidazole-2-thione (CID 29062795) is 3-cyclopentyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-cyclopentyl-1H-imidazole-2-thione?
The canonical SMILES for 3-cyclopentyl-1H-imidazole-2-thione is S=c1[nH]ccn1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-1H-imidazole-2-thione?
The InChIKey is VDALIJNEOCIQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c11-8-9-5-6-10(8)7-3-1-2-4-7/h5-7H,1-4H2,(H,9,11).
What are the key properties of 3-cyclopentyl-1H-imidazole-2-thione?
3-cyclopentyl-1H-imidazole-2-thione has a molecular weight of 168.26 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1H-imidazole-2-thione is sourced from PubChem (CID 29062795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).