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

C21H24N2O2S — CID 135546903

IUPAC4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N/C1=N\Cc1ccccc1C
InChIInChI=1S/C21H24N2O2S/c1-14(2)17-9-11-18(12-10-17)20-16(4)21(23-26(20,24)25)22-13-19-8-6-5-7-15(19)3/h5-12,14H,13H2,1-4H3,(H,22,23)
InChIKeyNSDQRSRMYGNVJZ-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.38
Rot. Bonds4

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

4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-imine (PubChem CID 135546903) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-imine.

Molecular Properties

Compound Name4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-imine
PubChem CID135546903
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N/C1=N\Cc1ccccc1C
InChIInChI=1S/C21H24N2O2S/c1-14(2)17-9-11-18(12-10-17)20-16(4)21(23-26(20,24)25)22-13-19-8-6-5-7-15(19)3/h5-12,14H,13H2,1-4H3,(H,22,23)
InChIKeyNSDQRSRMYGNVJZ-UHFFFAOYSA-N
XLogP4.38
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.38
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 4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-imine?
The IUPAC name of 4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-imine (CID 135546903) is 4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-imine.
What is the SMILES notation for 4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-imine?
The canonical SMILES for 4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-imine is CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N/C1=N\Cc1ccccc1C.
What is the InChIKey of 4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-imine?
The InChIKey is NSDQRSRMYGNVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-14(2)17-9-11-18(12-10-17)20-16(4)21(23-26(20,24)25)22-13-19-8-6-5-7-15(19)3/h5-12,14H,13H2,1-4H3,(H,22,23).
What are the key properties of 4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-imine?
4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-imine has a molecular weight of 368.50 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methylphenyl)methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-imine is sourced from PubChem (CID 135546903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).