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

C19H20N2O3S — CID 135809829

IUPACN-[(2-methoxyphenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine
SMILESCOc1ccccc1C/N=C1\NS(=O)(=O)C(c2ccc(C)cc2)=C1C
InChIInChI=1S/C19H20N2O3S/c1-13-8-10-15(11-9-13)18-14(2)19(21-25(18,22)23)20-12-16-6-4-5-7-17(16)24-3/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyXIHQSHPEHGNPJP-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.27
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine (PubChem CID 135809829) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine
PubChem CID135809829
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine
SMILESCOc1ccccc1C/N=C1\NS(=O)(=O)C(c2ccc(C)cc2)=C1C
InChIInChI=1S/C19H20N2O3S/c1-13-8-10-15(11-9-13)18-14(2)19(21-25(18,22)23)20-12-16-6-4-5-7-17(16)24-3/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyXIHQSHPEHGNPJP-UHFFFAOYSA-N
XLogP3.27
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.27
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

5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
CID 135735938
N-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
CID 135735940
2-[[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 135597530
N-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
CID 135546893
N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide
CID 135706403
3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 135995514
1-(azidomethyl)-2-methoxybenzene
CID 11263685
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylbenzamide
CID 123310577
(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 135625180
1-[[5-(4-methoxyphenyl)-1,1-dioxo-4-phenyl-1,2-thiazol-3-ylidene]amino]propan-2-ol
CID 136816464
N'-(2,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7541746

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine (CID 135809829) is N-[(2-methoxyphenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine is COc1ccccc1C/N=C1\NS(=O)(=O)C(c2ccc(C)cc2)=C1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine?
The InChIKey is XIHQSHPEHGNPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-8-10-15(11-9-13)18-14(2)19(21-25(18,22)23)20-12-16-6-4-5-7-17(16)24-3/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine?
N-[(2-methoxyphenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine has a molecular weight of 356.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-imine is sourced from PubChem (CID 135809829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).