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

C16H28N4S — CID 172873053

IUPACN-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane
SMILESC.S=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C15H24N4S.CH4/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);1H4
InChIKeyMPJKOAFGDIVQSD-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.43
Rot. Bonds2

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

N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane (PubChem CID 172873053) has the molecular formula C16H28N4S and a molecular weight of 308.49 g/mol. Its IUPAC name is N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane.

Molecular Properties

Compound NameN-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane
PubChem CID172873053
Molecular FormulaC16H28N4S
Molecular Weight308.49 g/mol
Exact Mass308.20
IUPAC NameN-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane
SMILESC.S=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C15H24N4S.CH4/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);1H4
InChIKeyMPJKOAFGDIVQSD-UHFFFAOYSA-N
XLogP3.43
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
CID 10685941
3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
CID 19097445
4-[4-[(4-cyanophenyl)sulfonyl-(1H-imidazol-5-ylmethyl)amino]phenyl]-N-cyclohexylpiperidine-1-carbothioamide
CID 10209837
N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide
CID 113224022
N-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
CID 21330739
N-cyclopropylazocane-1-carbothioamide
CID 115570256
N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 108781623
4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde
CID 142698027
N-cyclohexyl-3-azabicyclo[3.2.2]nonane-3-carbothioamide
CID 2797406
4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide
CID 100641520
3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one
CID 154863873
N-cyclopentyl-4-phenylpiperazine-1-carbothioamide
CID 892113

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane?
The IUPAC name of N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane (CID 172873053) is N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane.
What is the SMILES notation for N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane?
The canonical SMILES for N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane is C.S=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1.
What is the InChIKey of N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane?
The InChIKey is MPJKOAFGDIVQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S.CH4/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);1H4.
What are the key properties of N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane?
N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide;methane has a molecular weight of 308.49 g/mol, XLogP of 3.43, 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;methane is sourced from PubChem (CID 172873053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).