1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea

C16H17ClN2S — CID 8682387

IUPAC1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)N(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2S/c1-12-3-9-15(10-4-12)18-16(20)19(2)11-13-5-7-14(17)8-6-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyJFRVYMZUFXHXCR-UHFFFAOYSA-N
MW304.85 g/mol
LogP4.48
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea

1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea (PubChem CID 8682387) has the molecular formula C16H17ClN2S and a molecular weight of 304.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea
PubChem CID8682387
Molecular FormulaC16H17ClN2S
Molecular Weight304.85 g/mol
Exact Mass304.08
IUPAC Name1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)N(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2S/c1-12-3-9-15(10-4-12)18-16(20)19(2)11-13-5-7-14(17)8-6-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyJFRVYMZUFXHXCR-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

3-(4-ethylphenyl)-1-methyl-1-[(4-methylphenyl)methyl]thiourea
CID 8681314
1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-1-methylthiourea
CID 8769838
3-(3,4-dimethylphenyl)-1-methyl-1-[(4-methylphenyl)methyl]thiourea
CID 8681298
2-[(4-chlorophenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8742338
3-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylthiourea
CID 8676775
1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 3834758
1-[(4-bromophenyl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)thiourea
CID 8682379
1-[(4-chlorophenyl)methyl]-1-methyl-3-propylthiourea
CID 115570972
1-benzyl-1-methyl-3-(4-propan-2-ylphenyl)thiourea
CID 8619912
3-(4-chlorophenyl)-1,1-dimethylthiourea;hydroiodide
CID 118931463
3-(4-chlorophenyl)-1,1-bis[(4-methoxyphenyl)methyl]thiourea
CID 4161356
3-(3-chloro-4-methylphenyl)-1-methyl-1-[(4-methylsulfanylphenyl)methyl]thiourea
CID 8787206

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea (CID 8682387) is 1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=S)N(C)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea?
The InChIKey is JFRVYMZUFXHXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2S/c1-12-3-9-15(10-4-12)18-16(20)19(2)11-13-5-7-14(17)8-6-13/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea?
1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea has a molecular weight of 304.85 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-1-methyl-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 8682387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).