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

C19H24N2S — CID 100730538

IUPAC1-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methylphenyl)thiourea
SMILESCC[C@@H](NC(=S)Nc1cccc(C)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H24N2S/c1-5-18(16-10-9-14(3)15(4)12-16)21-19(22)20-17-8-6-7-13(2)11-17/h6-12,18H,5H2,1-4H3,(H2,20,21,22)/t18-/m1/s1
InChIKeyYJJZRRIESRYBIL-GOSISDBHSA-N
MW312.48 g/mol
LogP5.05
Rot. Bonds4

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

1-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methylphenyl)thiourea (PubChem CID 100730538) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methylphenyl)thiourea
PubChem CID100730538
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name1-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methylphenyl)thiourea
SMILESCC[C@@H](NC(=S)Nc1cccc(C)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H24N2S/c1-5-18(16-10-9-14(3)15(4)12-16)21-19(22)20-17-8-6-7-13(2)11-17/h6-12,18H,5H2,1-4H3,(H2,20,21,22)/t18-/m1/s1
InChIKeyYJJZRRIESRYBIL-GOSISDBHSA-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-[1-(3,4-dimethylphenyl)propyl]thiourea
CID 133216449
1-[1-(3,4-dimethylphenyl)propyl]-3-(3-fluorophenyl)thiourea
CID 133216307
1-(3,4-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675395
1-(3-methylphenyl)-3-[1-(4-methylsulfonylphenyl)propyl]thiourea
CID 133216656
1-[4-(cyanomethyl)phenyl]-3-[(1S)-1-(3,4-dimethylphenyl)propyl]thiourea
CID 100731065
1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675396
1-[1-(3,4-dimethylphenyl)propyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 133216504
1-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 100731749
1-(3-bromophenyl)-3-[1-(2-methylphenyl)propyl]thiourea
CID 133218028
1-(4-bromo-3-methylphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 100650374
ethyl 2-chloro-5-[[(1R)-1-(3,4-dimethylphenyl)propyl]carbamothioylamino]benzoate
CID 100731504
1-[1-(3,4-dimethoxyphenyl)propyl]-3-(3-fluorophenyl)thiourea
CID 133216611

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methylphenyl)thiourea?
The IUPAC name of 1-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methylphenyl)thiourea (CID 100730538) is 1-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methylphenyl)thiourea.
What is the SMILES notation for 1-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methylphenyl)thiourea?
The canonical SMILES for 1-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methylphenyl)thiourea is CC[C@@H](NC(=S)Nc1cccc(C)c1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methylphenyl)thiourea?
The InChIKey is YJJZRRIESRYBIL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2S/c1-5-18(16-10-9-14(3)15(4)12-16)21-19(22)20-17-8-6-7-13(2)11-17/h6-12,18H,5H2,1-4H3,(H2,20,21,22)/t18-/m1/s1.
What are the key properties of 1-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methylphenyl)thiourea?
1-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methylphenyl)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-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(3-methylphenyl)thiourea is sourced from PubChem (CID 100730538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).