1-(3-cyclohexylphenyl)-3-cyclopentylthiourea

C18H26N2S — CID 142494200

IUPAC1-(3-cyclohexylphenyl)-3-cyclopentylthiourea
SMILESS=C(Nc1cccc(C2CCCCC2)c1)NC1CCCC1
InChIInChI=1S/C18H26N2S/c21-18(19-16-10-4-5-11-16)20-17-12-6-9-15(13-17)14-7-2-1-3-8-14/h6,9,12-14,16H,1-5,7-8,10-11H2,(H2,19,20,21)
InChIKeyJVCSKDRMBQSVJW-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.96
Rot. Bonds3

About 1-(3-cyclohexylphenyl)-3-cyclopentylthiourea

1-(3-cyclohexylphenyl)-3-cyclopentylthiourea (PubChem CID 142494200) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-(3-cyclohexylphenyl)-3-cyclopentylthiourea.

Molecular Properties

Compound Name1-(3-cyclohexylphenyl)-3-cyclopentylthiourea
PubChem CID142494200
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-(3-cyclohexylphenyl)-3-cyclopentylthiourea
SMILESS=C(Nc1cccc(C2CCCCC2)c1)NC1CCCC1
InChIInChI=1S/C18H26N2S/c21-18(19-16-10-4-5-11-16)20-17-12-6-9-15(13-17)14-7-2-1-3-8-14/h6,9,12-14,16H,1-5,7-8,10-11H2,(H2,19,20,21)
InChIKeyJVCSKDRMBQSVJW-UHFFFAOYSA-N
XLogP4.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-cyclohexylphenyl)-3-cyclopentylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylphenyl)-3-cyclopentylthiourea?
The IUPAC name of 1-(3-cyclohexylphenyl)-3-cyclopentylthiourea (CID 142494200) is 1-(3-cyclohexylphenyl)-3-cyclopentylthiourea.
What is the SMILES notation for 1-(3-cyclohexylphenyl)-3-cyclopentylthiourea?
The canonical SMILES for 1-(3-cyclohexylphenyl)-3-cyclopentylthiourea is S=C(Nc1cccc(C2CCCCC2)c1)NC1CCCC1.
What is the InChIKey of 1-(3-cyclohexylphenyl)-3-cyclopentylthiourea?
The InChIKey is JVCSKDRMBQSVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c21-18(19-16-10-4-5-11-16)20-17-12-6-9-15(13-17)14-7-2-1-3-8-14/h6,9,12-14,16H,1-5,7-8,10-11H2,(H2,19,20,21).
What are the key properties of 1-(3-cyclohexylphenyl)-3-cyclopentylthiourea?
1-(3-cyclohexylphenyl)-3-cyclopentylthiourea has a molecular weight of 302.49 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylphenyl)-3-cyclopentylthiourea is sourced from PubChem (CID 142494200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).