1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea

C14H19ClN2S — CID 2787292

IUPAC1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea
SMILESS=C(NCc1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C14H19ClN2S/c15-12-8-6-11(7-9-12)10-16-14(18)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,16,17,18)
InChIKeyXRVFNSGNRHTPDJ-UHFFFAOYSA-N
MW282.84 g/mol
LogP3.64
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea

1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea (PubChem CID 2787292) has the molecular formula C14H19ClN2S and a molecular weight of 282.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea
PubChem CID2787292
Molecular FormulaC14H19ClN2S
Molecular Weight282.84 g/mol
Exact Mass282.10
IUPAC Name1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea
SMILESS=C(NCc1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C14H19ClN2S/c15-12-8-6-11(7-9-12)10-16-14(18)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,16,17,18)
InChIKeyXRVFNSGNRHTPDJ-UHFFFAOYSA-N
XLogP3.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea 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-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea (CID 2787292) is 1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea is S=C(NCc1ccc(Cl)cc1)NC1CCCCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea?
The InChIKey is XRVFNSGNRHTPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2S/c15-12-8-6-11(7-9-12)10-16-14(18)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,16,17,18).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea?
1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea has a molecular weight of 282.84 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-cyclohexylthiourea is sourced from PubChem (CID 2787292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).