1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea

C18H28N2S — CID 19675502

IUPAC1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
SMILESCC(C)c1ccc(C(C)NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C18H28N2S/c1-13(2)15-9-11-16(12-10-15)14(3)19-18(21)20-17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3,(H2,19,20,21)
InChIKeyUFPGJQDSAYXGQJ-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.67
Rot. Bonds4

About 1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea

1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea (PubChem CID 19675502) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
PubChem CID19675502
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC Name1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
SMILESCC(C)c1ccc(C(C)NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C18H28N2S/c1-13(2)15-9-11-16(12-10-15)14(3)19-18(21)20-17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3,(H2,19,20,21)
InChIKeyUFPGJQDSAYXGQJ-UHFFFAOYSA-N
XLogP4.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea 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-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea (CID 19675502) is 1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea is CC(C)c1ccc(C(C)NC(=S)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The InChIKey is UFPGJQDSAYXGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-13(2)15-9-11-16(12-10-15)14(3)19-18(21)20-17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea has a molecular weight of 304.50 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea is sourced from PubChem (CID 19675502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).