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

C19H24N2OS — CID 9218189

IUPAC1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
SMILESCC[C@H](NC(=S)Nc1cc(C)cc(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2OS/c1-5-18(15-6-8-17(22-4)9-7-15)21-19(23)20-16-11-13(2)10-14(3)12-16/h6-12,18H,5H2,1-4H3,(H2,20,21,23)/t18-/m0/s1
InChIKeyQBJSYTSERMGRGJ-SFHVURJKSA-N
MW328.48 g/mol
LogP4.75
Rot. Bonds5

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

1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea (PubChem CID 9218189) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
PubChem CID9218189
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
SMILESCC[C@H](NC(=S)Nc1cc(C)cc(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2OS/c1-5-18(15-6-8-17(22-4)9-7-15)21-19(23)20-16-11-13(2)10-14(3)12-16/h6-12,18H,5H2,1-4H3,(H2,20,21,23)/t18-/m0/s1
InChIKeyQBJSYTSERMGRGJ-SFHVURJKSA-N
XLogP4.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675396
1-(4-bromo-3-methylphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100651983
1-(4-bromo-3-methylphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215512
1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 92693805
1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215502
1-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 84955505
1-(3,5-dimethylphenyl)-3-[1-(3,4-dimethylphenyl)propyl]thiourea
CID 133216449
1-(3,4-difluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100652514
1-(4-bromo-3-chlorophenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100652452
1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 100651831
1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea
CID 133216596
1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100652655

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea (CID 9218189) is 1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea is CC[C@H](NC(=S)Nc1cc(C)cc(C)c1)c1ccc(OC)cc1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
The InChIKey is QBJSYTSERMGRGJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-5-18(15-6-8-17(22-4)9-7-15)21-19(23)20-16-11-13(2)10-14(3)12-16/h6-12,18H,5H2,1-4H3,(H2,20,21,23)/t18-/m0/s1.
What are the key properties of 1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea has a molecular weight of 328.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea is sourced from PubChem (CID 9218189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).