1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea

C17H19ClN2S — CID 2917831

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea
SMILESCc1ccc(NC(=S)NCCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H19ClN2S/c1-12-3-8-16(13(2)11-12)20-17(21)19-10-9-14-4-6-15(18)7-5-14/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyUUOFRWFOCBNQFL-UHFFFAOYSA-N
MW318.87 g/mol
LogP4.49
Rot. Bonds4

About 1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea

1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea (PubChem CID 2917831) has the molecular formula C17H19ClN2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea
PubChem CID2917831
Molecular FormulaC17H19ClN2S
Molecular Weight318.87 g/mol
Exact Mass318.10
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea
SMILESCc1ccc(NC(=S)NCCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H19ClN2S/c1-12-3-8-16(13(2)11-12)20-17(21)19-10-9-14-4-6-15(18)7-5-14/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyUUOFRWFOCBNQFL-UHFFFAOYSA-N
XLogP4.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)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-(3-Chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)ethyl]thiourea
CID 899244
N-(3-chlorophenyl)-N'-(2,6-diisopropylphenyl)thiourea
CID 2731342
1-(4-Chlorophenyl)-3-(2-phenylethyl)thiourea
CID 878760
3-(2-Chloro-6-methylphenyl)-1-[1,2-di(phenyl)ethyl]thiourea
CID 2725220
1-(3-Chloro-2-methylphenyl)-3-propylthiourea
CID 2171168
1-Benzyl-3-(2,4-dimethyl-phenyl)-thiourea
CID 765098
1-(4-Chloro-2-methylphenyl)-3-cyclopentylthiourea
CID 799832
1-(3-Chloro-2-methylphenyl)-3-cyclopentylthiourea
CID 799887
1-(4-Chlorobenzyl)-3-(2-fluorophenyl)thiourea
CID 883448
1-(3-Chloro-4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]thiourea
CID 972392
1-[3-(Dimethylamino)propyl]-3-(4-phenylphenyl)thiourea
CID 2486346
N-(2-chlorobenzyl)-N'-(3-fluorophenyl)thiourea
CID 2731424

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea (CID 2917831) is 1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea is Cc1ccc(NC(=S)NCCc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea?
The InChIKey is UUOFRWFOCBNQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2S/c1-12-3-8-16(13(2)11-12)20-17(21)19-10-9-14-4-6-15(18)7-5-14/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea?
1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea has a molecular weight of 318.87 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)thiourea is sourced from PubChem (CID 2917831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).