3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate

C18H30N4S — CID 56851608

IUPAC3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate
SMILESc1ncc(CCCS/C(=N\C2CCCC2)NC2CCCCC2)[nH]1
InChIInChI=1S/C18H30N4S/c1-2-7-15(8-3-1)21-18(22-16-9-4-5-10-16)23-12-6-11-17-13-19-14-20-17/h13-16H,1-12H2,(H,19,20)(H,21,22)
InChIKeyGFCZIYIOXQZPFE-UHFFFAOYSA-N
MW334.53 g/mol
LogP4.30
Rot. Bonds6

About 3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate

3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate (PubChem CID 56851608) has the molecular formula C18H30N4S and a molecular weight of 334.53 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate
PubChem CID56851608
Molecular FormulaC18H30N4S
Molecular Weight334.53 g/mol
Exact Mass334.22
IUPAC Name3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate
SMILESc1ncc(CCCS/C(=N\C2CCCC2)NC2CCCCC2)[nH]1
InChIInChI=1S/C18H30N4S/c1-2-7-15(8-3-1)21-18(22-16-9-4-5-10-16)23-12-6-11-17-13-19-14-20-17/h13-16H,1-12H2,(H,19,20)(H,21,22)
InChIKeyGFCZIYIOXQZPFE-UHFFFAOYSA-N
XLogP4.30
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(1H-imidazol-5-yl)propyl N-tert-butyl-N'-cyclopentylcarbamimidothioate;hydrobromide
CID 57397909
3-(1H-imidazol-5-yl)propyl N'-(cyclohexylmethyl)carbamimidothioate
CID 10039338
N-cyclopentyl-2-(1H-imidazol-5-yl)acetamide
CID 110684053
3-(1H-imidazol-5-yl)propyl N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidothioate
CID 10426315
(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl N,N'-dicyclohexylcarbamimidothioate
CID 158566504
(3S)-3-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]butanamide
CID 46887043
2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
CID 65232162
1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232163
3-(1H-imidazol-5-yl)propyl N'-(3,3-diphenylpropyl)carbamimidothioate
CID 45268095
3-cyclopentyl-N-[3-(1H-imidazol-5-yl)propyl]propanethioamide
CID 11777650
3-(1H-imidazol-5-yl)propyl N'-(2-phenylethyl)carbamimidothioate
CID 10085528
5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole
CID 173323765

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate (CID 56851608) is 3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate is c1ncc(CCCS/C(=N\C2CCCC2)NC2CCCCC2)[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate?
The InChIKey is GFCZIYIOXQZPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4S/c1-2-7-15(8-3-1)21-18(22-16-9-4-5-10-16)23-12-6-11-17-13-19-14-20-17/h13-16H,1-12H2,(H,19,20)(H,21,22).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate?
3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate has a molecular weight of 334.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)propyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate is sourced from PubChem (CID 56851608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).