1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea

C19H24N2O2S — CID 8682696

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea
SMILESCOc1cccc(CN(C)C(=S)Nc2cc(C)ccc2C)c1OC
InChIInChI=1S/C19H24N2O2S/c1-13-9-10-14(2)16(11-13)20-19(24)21(3)12-15-7-6-8-17(22-4)18(15)23-5/h6-11H,12H2,1-5H3,(H,20,24)
InChIKeyLKNXXWFAKCMVQF-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.15
Rot. Bonds5

About 1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea

1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea (PubChem CID 8682696) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea
PubChem CID8682696
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea
SMILESCOc1cccc(CN(C)C(=S)Nc2cc(C)ccc2C)c1OC
InChIInChI=1S/C19H24N2O2S/c1-13-9-10-14(2)16(11-13)20-19(24)21(3)12-15-7-6-8-17(22-4)18(15)23-5/h6-11H,12H2,1-5H3,(H,20,24)
InChIKeyLKNXXWFAKCMVQF-UHFFFAOYSA-N
XLogP4.15
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-2-methylphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-methylthiourea
CID 8786787
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 4882071
1-benzyl-3-(2-chloro-5-methylphenyl)-1-[(2,3-dimethoxyphenyl)methyl]thiourea
CID 17369597
3-(2,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-1-methylthiourea
CID 8683472
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
1-[(3,4-dichlorophenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea
CID 8683450
3-(2,5-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17371039
N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide
CID 27786521
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162936
1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea
CID 9097975
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 82761585
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea (CID 8682696) is 1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea is COc1cccc(CN(C)C(=S)Nc2cc(C)ccc2C)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea?
The InChIKey is LKNXXWFAKCMVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-9-10-14(2)16(11-13)20-19(24)21(3)12-15-7-6-8-17(22-4)18(15)23-5/h6-11H,12H2,1-5H3,(H,20,24).
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea?
1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea has a molecular weight of 344.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea is sourced from PubChem (CID 8682696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).