1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea

C15H22N2OS — CID 23932184

IUPAC1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea
SMILESCc1ccc(NC(=S)NC2CCC(O)CC2)c(C)c1
InChIInChI=1S/C15H22N2OS/c1-10-3-8-14(11(2)9-10)17-15(19)16-12-4-6-13(18)7-5-12/h3,8-9,12-13,18H,4-7H2,1-2H3,(H2,16,17,19)
InChIKeyHVMLWLTVNXJGJO-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.89
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea

1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea (PubChem CID 23932184) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea
PubChem CID23932184
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea
SMILESCc1ccc(NC(=S)NC2CCC(O)CC2)c(C)c1
InChIInChI=1S/C15H22N2OS/c1-10-3-8-14(11(2)9-10)17-15(19)16-12-4-6-13(18)7-5-12/h3,8-9,12-13,18H,4-7H2,1-2H3,(H2,16,17,19)
InChIKeyHVMLWLTVNXJGJO-UHFFFAOYSA-N
XLogP2.89
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea 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-cyclooctyl-3-(2,5-dimethylphenyl)thiourea
CID 19650520
1-(1-benzoylpiperidin-4-yl)-3-(2,4-dimethylphenyl)thiourea
CID 92519823
1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea
CID 27024560
1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea
CID 24614846
1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea
CID 800427
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dimethylphenyl)thiourea
CID 100592921
N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide
CID 108941058
1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-3-(2,4-dimethylphenyl)thiourea
CID 99936010
1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-(2,4-dimethylphenyl)thiourea
CID 11859389
1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea
CID 4282829
1-(2,4-dimethylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]carbamothioylamino]thiourea
CID 8617074
1-tert-butyl-3-(2,4-dimethylphenyl)thiourea
CID 2797643

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea (CID 23932184) is 1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea is Cc1ccc(NC(=S)NC2CCC(O)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea?
The InChIKey is HVMLWLTVNXJGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-3-8-14(11(2)9-10)17-15(19)16-12-4-6-13(18)7-5-12/h3,8-9,12-13,18H,4-7H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea?
1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea has a molecular weight of 278.42 g/mol, XLogP of 2.89, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea is sourced from PubChem (CID 23932184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).