3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea

C16H23ClN2S — CID 7972663

IUPAC3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea
SMILESCCN(C(=S)Nc1ccc(C)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H23ClN2S/c1-3-19(14-7-5-4-6-8-14)16(20)18-13-10-9-12(2)15(17)11-13/h9-11,14H,3-8H2,1-2H3,(H,18,20)
InChIKeyWJDRSIJLEAXMKG-UHFFFAOYSA-N
MW310.89 g/mol
LogP5.00
Rot. Bonds3

About 3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea

3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea (PubChem CID 7972663) has the molecular formula C16H23ClN2S and a molecular weight of 310.89 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea
PubChem CID7972663
Molecular FormulaC16H23ClN2S
Molecular Weight310.89 g/mol
Exact Mass310.13
IUPAC Name3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea
SMILESCCN(C(=S)Nc1ccc(C)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H23ClN2S/c1-3-19(14-7-5-4-6-8-14)16(20)18-13-10-9-12(2)15(17)11-13/h9-11,14H,3-8H2,1-2H3,(H,18,20)
InChIKeyWJDRSIJLEAXMKG-UHFFFAOYSA-N
XLogP5.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.89
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-(3,4-dichlorophenyl)-1-prop-2-enylthiourea
CID 3820708
3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116428
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-methylphenyl)-1-(1-methylpiperidin-4-yl)thiourea
CID 4614049
N-(3-chloro-4-methylphenyl)-2-ethylpiperidine-1-carbothioamide
CID 17270284
3-(3-chloro-4-methylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8769759
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419
3-(4-bromo-3-methylphenyl)-1-cyclohexyl-1-prop-2-enylthiourea
CID 4985455
1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cycloheptyl-3-(3,4-dimethylphenyl)thiourea
CID 3627895
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
CID 108951589
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642155
1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea
CID 53489424

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea (CID 7972663) is 3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea is CCN(C(=S)Nc1ccc(C)c(Cl)c1)C1CCCCC1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea?
The InChIKey is WJDRSIJLEAXMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2S/c1-3-19(14-7-5-4-6-8-14)16(20)18-13-10-9-12(2)15(17)11-13/h9-11,14H,3-8H2,1-2H3,(H,18,20).
What are the key properties of 3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea?
3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea has a molecular weight of 310.89 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-1-cyclohexyl-1-ethylthiourea is sourced from PubChem (CID 7972663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).