1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea

C12H20N4S — CID 115570774

IUPAC1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea
SMILESS=C(NCCn1ccnc1)NC1CCCCC1
InChIInChI=1S/C12H20N4S/c17-12(15-11-4-2-1-3-5-11)14-7-9-16-8-6-13-10-16/h6,8,10-11H,1-5,7,9H2,(H2,14,15,17)
InChIKeyGXSGHOCWVSFSIH-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.68
Rot. Bonds4

About 1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea

1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea (PubChem CID 115570774) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea
PubChem CID115570774
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea
SMILESS=C(NCCn1ccnc1)NC1CCCCC1
InChIInChI=1S/C12H20N4S/c17-12(15-11-4-2-1-3-5-11)14-7-9-16-8-6-13-10-16/h6,8,10-11H,1-5,7,9H2,(H2,14,15,17)
InChIKeyGXSGHOCWVSFSIH-UHFFFAOYSA-N
XLogP1.68
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 110991929
1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea
CID 116507643
1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110958682
1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110958079
1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 119117343
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
CID 110991931
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110991930
1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea
CID 116508143
3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47020069
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523
1-(2-imidazol-1-ylethyl)-3-phenylthiourea
CID 115570770
1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine
CID 106569297

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea (CID 115570774) is 1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea is S=C(NCCn1ccnc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea?
The InChIKey is GXSGHOCWVSFSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c17-12(15-11-4-2-1-3-5-11)14-7-9-16-8-6-13-10-16/h6,8,10-11H,1-5,7,9H2,(H2,14,15,17).
What are the key properties of 1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea?
1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea has a molecular weight of 252.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea is sourced from PubChem (CID 115570774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).