1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea

C19H24N2S — CID 19675396

IUPAC1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
SMILESCCC(NC(=S)Nc1cc(C)cc(C)c1)c1ccc(C)cc1
InChIInChI=1S/C19H24N2S/c1-5-18(16-8-6-13(2)7-9-16)21-19(22)20-17-11-14(3)10-15(4)12-17/h6-12,18H,5H2,1-4H3,(H2,20,21,22)
InChIKeyHWJKCMKFIFTOAF-UHFFFAOYSA-N
MW312.48 g/mol
LogP5.05
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea

1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea (PubChem CID 19675396) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
PubChem CID19675396
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
SMILESCCC(NC(=S)Nc1cc(C)cc(C)c1)c1ccc(C)cc1
InChIInChI=1S/C19H24N2S/c1-5-18(16-8-6-13(2)7-9-16)21-19(22)20-17-11-14(3)10-15(4)12-17/h6-12,18H,5H2,1-4H3,(H2,20,21,22)
InChIKeyHWJKCMKFIFTOAF-UHFFFAOYSA-N
XLogP5.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 9218189
1-(3,5-dimethylphenyl)-3-[1-(3,4-dimethylphenyl)propyl]thiourea
CID 133216449
1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea
CID 8657365
1-(3,4-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675395
1-(4-bromo-3-methylphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 100650374
1-(3,4-difluorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]thiourea
CID 100650729
1-(3,4-dichlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]thiourea
CID 27519172
1-(3,4-dichlorophenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 27519171
1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675375
1-[(1R)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100650624
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1S)-1-(4-methylphenyl)propyl]thiourea
CID 100650540
1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea
CID 100651617

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea (CID 19675396) is 1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea is CCC(NC(=S)Nc1cc(C)cc(C)c1)c1ccc(C)cc1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea?
The InChIKey is HWJKCMKFIFTOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-5-18(16-8-6-13(2)7-9-16)21-19(22)20-17-11-14(3)10-15(4)12-17/h6-12,18H,5H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea?
1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea has a molecular weight of 312.48 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea is sourced from PubChem (CID 19675396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).