1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea

C18H22N2OS — CID 19675228

IUPAC1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C18H22N2OS/c1-12-9-10-15(13(2)11-12)14(3)19-18(22)20-16-7-5-6-8-17(16)21-4/h5-11,14H,1-4H3,(H2,19,20,22)
InChIKeyHJBHJFBAZLHGJG-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.36
Rot. Bonds4

About 1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea

1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea (PubChem CID 19675228) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea
PubChem CID19675228
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C18H22N2OS/c1-12-9-10-15(13(2)11-12)14(3)19-18(22)20-16-7-5-6-8-17(16)21-4/h5-11,14H,1-4H3,(H2,19,20,22)
InChIKeyHJBHJFBAZLHGJG-UHFFFAOYSA-N
XLogP4.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)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

1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 2207743
1-[(1S)-1-(2,4-dimethylphenyl)propyl]-3-(2-ethoxyphenyl)thiourea
CID 100732266
1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea
CID 133207092
(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 94843715
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 28580052
1-(2,6-difluorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]thiourea
CID 100647850
ethyl 3-[[(1R)-1-(2,4-dimethylphenyl)ethyl]carbamothioylamino]-2-methylbenzoate
CID 100648134
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
CID 19675268
1-(4-bromo-2-fluorophenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
CID 133215384
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
1-[1-(2,4-dimethylphenyl)ethyl]-3-pyridin-4-ylthiourea
CID 133215413
1-[1-(2,4-dimethylphenyl)ethyl]-3-(3-fluorophenyl)thiourea
CID 19675224

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea (CID 19675228) is 1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea is COc1ccccc1NC(=S)NC(C)c1ccc(C)cc1C.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea?
The InChIKey is HJBHJFBAZLHGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-12-9-10-15(13(2)11-12)14(3)19-18(22)20-16-7-5-6-8-17(16)21-4/h5-11,14H,1-4H3,(H2,19,20,22).
What are the key properties of 1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea?
1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea has a molecular weight of 314.45 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 19675228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).