1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea

C19H24N2O3S — CID 100651831

IUPAC1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
SMILESCC[C@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O3S/c1-5-16(13-6-8-14(22-2)9-7-13)20-19(25)21-17-11-10-15(23-3)12-18(17)24-4/h6-12,16H,5H2,1-4H3,(H2,20,21,25)/t16-/m0/s1
InChIKeyZPXAMBWKFKAQDY-INIZCTEOSA-N
MW360.48 g/mol
LogP4.15
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea

1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea (PubChem CID 100651831) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
PubChem CID100651831
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
SMILESCC[C@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O3S/c1-5-16(13-6-8-14(22-2)9-7-13)20-19(25)21-17-11-10-15(23-3)12-18(17)24-4/h6-12,16H,5H2,1-4H3,(H2,20,21,25)/t16-/m0/s1
InChIKeyZPXAMBWKFKAQDY-INIZCTEOSA-N
XLogP4.15
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215505
1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 9218189
1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea
CID 133216596
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 133215327
1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 92693807
1-[(1S)-1-(4-methoxyphenyl)propyl]-3-methylthiourea
CID 9218074
1-ethyl-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 9218078
1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 800539
1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215502
1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 92693805
1-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 84955505
1-(3,4-difluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100652514

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea (CID 100651831) is 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea is CC[C@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccc(OC)cc1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
The InChIKey is ZPXAMBWKFKAQDY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-5-16(13-6-8-14(22-2)9-7-13)20-19(25)21-17-11-10-15(23-3)12-18(17)24-4/h6-12,16H,5H2,1-4H3,(H2,20,21,25)/t16-/m0/s1.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea has a molecular weight of 360.48 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea is sourced from PubChem (CID 100651831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).