5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine

C20H22N2O3S — CID 135809868

IUPAC5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
SMILESCOc1ccc(C/N=C2\NS(=O)(=O)C(c3ccc(C)c(C)c3)=C2C)cc1
InChIInChI=1S/C20H22N2O3S/c1-13-5-8-17(11-14(13)2)19-15(3)20(22-26(19,23)24)21-12-16-6-9-18(25-4)10-7-16/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyDMPJLGDBDJZZCZ-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.57
Rot. Bonds4

About 5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine

5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine (PubChem CID 135809868) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
PubChem CID135809868
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
SMILESCOc1ccc(C/N=C2\NS(=O)(=O)C(c3ccc(C)c(C)c3)=C2C)cc1
InChIInChI=1S/C20H22N2O3S/c1-13-5-8-17(11-14(13)2)19-15(3)20(22-26(19,23)24)21-12-16-6-9-18(25-4)10-7-16/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyDMPJLGDBDJZZCZ-UHFFFAOYSA-N
XLogP3.57
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
CID 135809960
5-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
CID 135809878
5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine
CID 135735929
2-[[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-[(4-ethoxyphenyl)methyl]acetamide
CID 135706509
5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-N-[(2S)-2-phenylpropyl]-1,2-thiazol-3-imine
CID 136800512
2-[[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 135597541
5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine
CID 136843158
1-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111024356
5-(4-methoxyphenyl)-1,2,3-trimethylbenzene
CID 132540116
4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene
CID 58598667
4-(3,4-dimethylphenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75360175
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine (CID 135809868) is 5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine is COc1ccc(C/N=C2\NS(=O)(=O)C(c3ccc(C)c(C)c3)=C2C)cc1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The InChIKey is DMPJLGDBDJZZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13-5-8-17(11-14(13)2)19-15(3)20(22-26(19,23)24)21-12-16-6-9-18(25-4)10-7-16/h5-11H,12H2,1-4H3,(H,21,22).
What are the key properties of 5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine has a molecular weight of 370.47 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine is sourced from PubChem (CID 135809868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).