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

C20H22N2O2S — CID 136917272

IUPAC5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N/C1=N\[C@H](C)c1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-13-10-11-18(12-14(13)2)19-15(3)20(22-25(19,23)24)21-16(4)17-8-6-5-7-9-17/h5-12,16H,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyBUWGAEAZIMEJNF-MRXNPFEDSA-N
MW354.48 g/mol
LogP4.13
Rot. Bonds3

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

5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine (PubChem CID 136917272) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine
PubChem CID136917272
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N/C1=N\[C@H](C)c1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-13-10-11-18(12-14(13)2)19-15(3)20(22-25(19,23)24)21-16(4)17-8-6-5-7-9-17/h5-12,16H,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyBUWGAEAZIMEJNF-MRXNPFEDSA-N
XLogP4.13
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine?
The IUPAC name of 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine (CID 136917272) is 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine is CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N/C1=N\[C@H](C)c1ccccc1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine?
The InChIKey is BUWGAEAZIMEJNF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-13-10-11-18(12-14(13)2)19-15(3)20(22-25(19,23)24)21-16(4)17-8-6-5-7-9-17/h5-12,16H,1-4H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine?
5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine has a molecular weight of 354.48 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1R)-1-phenylethyl]-1,2-thiazol-3-imine is sourced from PubChem (CID 136917272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).