1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea

C16H18N2OS — CID 19678122

IUPAC1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2ccccc2C)c(C)c1
InChIInChI=1S/C16H18N2OS/c1-11-6-4-5-7-14(11)17-16(20)18-15-9-8-13(19-3)10-12(15)2/h4-10H,1-3H3,(H2,17,18,20)
InChIKeyOBVPHFJMJZJDSC-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.12
Rot. Bonds3

About 1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea

1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea (PubChem CID 19678122) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea
PubChem CID19678122
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2ccccc2C)c(C)c1
InChIInChI=1S/C16H18N2OS/c1-11-6-4-5-7-14(11)17-16(20)18-15-9-8-13(19-3)10-12(15)2/h4-10H,1-3H3,(H2,17,18,20)
InChIKeyOBVPHFJMJZJDSC-UHFFFAOYSA-N
XLogP4.12
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.12
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-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea
CID 19678141
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
N-(4-methoxy-2-methylphenyl)-4-phenylbenzenecarbothioamide
CID 146253217
1-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea
CID 2457185
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide
CID 62872080
dimethyl 5-[(4-methoxy-2-methylphenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19678195
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 8681958
1-(4-methoxy-2-methylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea
CID 3862295
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108967272
1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(2-methylphenyl)thiourea
CID 19343774
N-[(2-methylphenyl)carbamothioyl]-2-[4-[2-[(2-methylphenyl)carbamothioylamino]-2-oxoethoxy]phenoxy]acetamide
CID 3644357

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea (CID 19678122) is 1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea is COc1ccc(NC(=S)Nc2ccccc2C)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea?
The InChIKey is OBVPHFJMJZJDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-6-4-5-7-14(11)17-16(20)18-15-9-8-13(19-3)10-12(15)2/h4-10H,1-3H3,(H2,17,18,20).
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea?
1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea has a molecular weight of 286.40 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 19678122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).