N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide

C15H24N4S — CID 3035905

IUPACN-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
SMILESS=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
InChIKeyQKDDJDBFONZGBW-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.80
Rot. Bonds2

About N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide

N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide (PubChem CID 3035905) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
PubChem CID3035905
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
SMILESS=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
InChIKeyQKDDJDBFONZGBW-UHFFFAOYSA-N
XLogP2.80
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide?
The IUPAC name of N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide (CID 3035905) is N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide.
What is the SMILES notation for N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide?
The canonical SMILES for N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide is S=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1.
What is the InChIKey of N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide?
The InChIKey is QKDDJDBFONZGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20).
What are the key properties of N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide?
N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide has a molecular weight of 292.45 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide is sourced from PubChem (CID 3035905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).