1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol

C10H16N2S — CID 163438726

IUPAC1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol
SMILESCC(S)C1CCC(c2cnc[nH]2)C1
InChIInChI=1S/C10H16N2S/c1-7(13)8-2-3-9(4-8)10-5-11-6-12-10/h5-9,13H,2-4H2,1H3,(H,11,12)
InChIKeyAWSJXEZPFZPEGY-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.61
Rot. Bonds2

About 1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol

1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol (PubChem CID 163438726) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol.

Molecular Properties

Compound Name1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol
PubChem CID163438726
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol
SMILESCC(S)C1CCC(c2cnc[nH]2)C1
InChIInChI=1S/C10H16N2S/c1-7(13)8-2-3-9(4-8)10-5-11-6-12-10/h5-9,13H,2-4H2,1H3,(H,11,12)
InChIKeyAWSJXEZPFZPEGY-UHFFFAOYSA-N
XLogP2.61
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine
CID 127051958
5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride
CID 75485523
1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine
CID 167991940
5-(2-methylcyclopropyl)-1H-imidazole
CID 72588094
4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde
CID 142698027
(2R)-N-[(1R)-1-cyclohexylethyl]-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide
CID 22875229
5-[(2S,4aR)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl]-1H-imidazole
CID 124677292
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120848543
N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide
CID 129359240
5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole
CID 91700479
2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde
CID 19593166
5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole
CID 143109546

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol?
The IUPAC name of 1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol (CID 163438726) is 1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol.
What is the SMILES notation for 1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol?
The canonical SMILES for 1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol is CC(S)C1CCC(c2cnc[nH]2)C1.
What is the InChIKey of 1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol?
The InChIKey is AWSJXEZPFZPEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7(13)8-2-3-9(4-8)10-5-11-6-12-10/h5-9,13H,2-4H2,1H3,(H,11,12).
What are the key properties of 1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol?
1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol has a molecular weight of 196.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol is sourced from PubChem (CID 163438726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).