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

C17H20N2OS — CID 899237

IUPAC1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
SMILESCOc1ccccc1CNC(=S)Nc1ccc(C)cc1C
InChIInChI=1S/C17H20N2OS/c1-12-8-9-15(13(2)10-12)19-17(21)18-11-14-6-4-5-7-16(14)20-3/h4-10H,11H2,1-3H3,(H2,18,19,21)
InChIKeyDRTWLGYIHVYXMQ-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.80
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea (PubChem CID 899237) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
PubChem CID899237
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
SMILESCOc1ccccc1CNC(=S)Nc1ccc(C)cc1C
InChIInChI=1S/C17H20N2OS/c1-12-8-9-15(13(2)10-12)19-17(21)18-11-14-6-4-5-7-16(14)20-3/h4-10H,11H2,1-3H3,(H2,18,19,21)
InChIKeyDRTWLGYIHVYXMQ-UHFFFAOYSA-N
XLogP3.80
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.80
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-(2,4-dimethylphenyl)-3-[(2-ethoxyphenyl)methyl]thiourea
CID 94494107
1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea
CID 92766117
ethyl 4-[(2-methoxyphenyl)methylcarbamothioylamino]-3-methylbenzoate
CID 100591277
1-[(2-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)thiourea
CID 799681
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)thiourea
CID 3836543
1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649540
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 100591089
1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649544
4-N-(2,4-dimethylphenyl)-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086851
1-(2,4-dimethylphenyl)-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]thiourea
CID 17089012
N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531639
1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897439

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea (CID 899237) is 1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea is COc1ccccc1CNC(=S)Nc1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea?
The InChIKey is DRTWLGYIHVYXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-8-9-15(13(2)10-12)19-17(21)18-11-14-6-4-5-7-16(14)20-3/h4-10H,11H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea?
1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea has a molecular weight of 300.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea is sourced from PubChem (CID 899237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).