3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea

C17H20N2S — CID 71821658

IUPAC3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea
SMILESCc1cc(C)cc(NC(=S)N(C)c2cccc(C)c2)c1
InChIInChI=1S/C17H20N2S/c1-12-6-5-7-16(11-12)19(4)17(20)18-15-9-13(2)8-14(3)10-15/h5-11H,1-4H3,(H,18,20)
InChIKeyMUDJBSBQVPWJBU-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.45
Rot. Bonds2

About 3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea

3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea (PubChem CID 71821658) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea
PubChem CID71821658
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea
SMILESCc1cc(C)cc(NC(=S)N(C)c2cccc(C)c2)c1
InChIInChI=1S/C17H20N2S/c1-12-6-5-7-16(11-12)19(4)17(20)18-15-9-13(2)8-14(3)10-15/h5-11H,1-4H3,(H,18,20)
InChIKeyMUDJBSBQVPWJBU-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3,5-dimethylphenyl)-1-methyl-1-(3-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-(3,5-dimethylphenyl)-1-ethyl-1-(3-methylphenyl)thiourea
CID 71821656
3-(3,5-dichlorophenyl)-1-ethyl-1-(3-methylphenyl)thiourea
CID 3841531
1-ethyl-1-(3-methylphenyl)-3-phenylthiourea
CID 115577646
CID 138691650
CID 138691650
1-N,1-N'-dimethyl-1-N,1-N'-bis(3-methylphenyl)prop-1-ene-1,1-diamine
CID 70524092
1-(2-cyanoethyl)-1-methyl-3-(3-methylphenyl)thiourea
CID 7942269
N-methyl-4-(methylamino)-N-(3-methylphenyl)benzamide
CID 62175593
1-(3,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)carbamothioylamino]thiourea
CID 2422712
1-methyl-3-(3-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]thiourea
CID 9214527
1-(3,5-dimethylphenyl)-3-(phenylcarbamothioylamino)thiourea
CID 8001043
1,1-bis[3-(dimethylamino)propyl]-3-(3,5-dimethylphenyl)thiourea
CID 8615766
1-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-3-(3-methylphenyl)thiourea
CID 8600195

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea (CID 71821658) is 3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea is Cc1cc(C)cc(NC(=S)N(C)c2cccc(C)c2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea?
The InChIKey is MUDJBSBQVPWJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-12-6-5-7-16(11-12)19(4)17(20)18-15-9-13(2)8-14(3)10-15/h5-11H,1-4H3,(H,18,20).
What are the key properties of 3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea?
3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea has a molecular weight of 284.43 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea is sourced from PubChem (CID 71821658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).