1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea

C15H14Cl2N2OS — CID 19678141

IUPAC1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)c(C)c1
InChIInChI=1S/C15H14Cl2N2OS/c1-9-5-13(20-2)3-4-14(9)19-15(21)18-12-7-10(16)6-11(17)8-12/h3-8H,1-2H3,(H2,18,19,21)
InChIKeyGYPGUOGDDOAWCK-UHFFFAOYSA-N
MW341.26 g/mol
LogP5.12
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea

1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea (PubChem CID 19678141) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea
PubChem CID19678141
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)c(C)c1
InChIInChI=1S/C15H14Cl2N2OS/c1-9-5-13(20-2)3-4-14(9)19-15(21)18-12-7-10(16)6-11(17)8-12/h3-8H,1-2H3,(H2,18,19,21)
InChIKeyGYPGUOGDDOAWCK-UHFFFAOYSA-N
XLogP5.12
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.26
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)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-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea
CID 19678122
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 5197935
1-(4-chloro-2,5-dimethoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 17300163
dimethyl 5-[(4-methoxy-2-methylphenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19678195
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide
CID 62872080
N-(4-methoxy-2-methylphenyl)-4-phenylbenzenecarbothioamide
CID 146253217
methyl 5-ethyl-2-[(4-methoxy-2-methylphenyl)carbamothioylamino]thiophene-3-carboxylate
CID 19678176
1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 5012399
1-(6-chloro-3-pyridinyl)-3-(2,4-dimethoxyphenyl)thiourea
CID 23737762
1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 972689
1-(4-bromo-2-chlorophenyl)-3-[4-(difluoromethoxy)-2-methylphenyl]thiourea
CID 2206459

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea (CID 19678141) is 1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea is COc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)c(C)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea?
The InChIKey is GYPGUOGDDOAWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c1-9-5-13(20-2)3-4-14(9)19-15(21)18-12-7-10(16)6-11(17)8-12/h3-8H,1-2H3,(H2,18,19,21).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea?
1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea has a molecular weight of 341.26 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea is sourced from PubChem (CID 19678141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).