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

C19H19ClN2O2S — CID 135546893

IUPACN-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N/C1=N\Cc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2S/c1-12-8-9-15(10-13(12)2)18-14(3)19(22-25(18,23)24)21-11-16-6-4-5-7-17(16)20/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyMZVWRJJWRODHQV-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.22
Rot. Bonds3

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

N-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine (PubChem CID 135546893) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
PubChem CID135546893
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N/C1=N\Cc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2S/c1-12-8-9-15(10-13(12)2)18-14(3)19(22-25(18,23)24)21-11-16-6-4-5-7-17(16)20/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyMZVWRJJWRODHQV-UHFFFAOYSA-N
XLogP4.22
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.22
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 N-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine (CID 135546893) is N-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine is CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N/C1=N\Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
The InChIKey is MZVWRJJWRODHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-12-8-9-15(10-13(12)2)18-14(3)19(22-25(18,23)24)21-11-16-6-4-5-7-17(16)20/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine?
N-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine has a molecular weight of 374.89 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine is sourced from PubChem (CID 135546893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).