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

C18H17ClN2O2S — CID 135546899

IUPAC5-(3-chlorophenyl)-4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2cccc(Cl)c2)S(=O)(=O)N/C1=N\Cc1ccccc1C
InChIInChI=1S/C18H17ClN2O2S/c1-12-6-3-4-7-15(12)11-20-18-13(2)17(24(22,23)21-18)14-8-5-9-16(19)10-14/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyRKVGDANTUPCGQI-UHFFFAOYSA-N
MW360.87 g/mol
LogP3.91
Rot. Bonds3

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

5-(3-chlorophenyl)-4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine (PubChem CID 135546899) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine
PubChem CID135546899
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name5-(3-chlorophenyl)-4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2cccc(Cl)c2)S(=O)(=O)N/C1=N\Cc1ccccc1C
InChIInChI=1S/C18H17ClN2O2S/c1-12-6-3-4-7-15(12)11-20-18-13(2)17(24(22,23)21-18)14-8-5-9-16(19)10-14/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyRKVGDANTUPCGQI-UHFFFAOYSA-N
XLogP3.91
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine?
The IUPAC name of 5-(3-chlorophenyl)-4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine (CID 135546899) is 5-(3-chlorophenyl)-4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine.
What is the SMILES notation for 5-(3-chlorophenyl)-4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine?
The canonical SMILES for 5-(3-chlorophenyl)-4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine is CC1=C(c2cccc(Cl)c2)S(=O)(=O)N/C1=N\Cc1ccccc1C.
What is the InChIKey of 5-(3-chlorophenyl)-4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine?
The InChIKey is RKVGDANTUPCGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-12-6-3-4-7-15(12)11-20-18-13(2)17(24(22,23)21-18)14-8-5-9-16(19)10-14/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 5-(3-chlorophenyl)-4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine?
5-(3-chlorophenyl)-4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine has a molecular weight of 360.87 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine is sourced from PubChem (CID 135546899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).