4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one

C12H12N2O2S — CID 135941223

IUPAC4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one
SMILESCc1cccc(/N=C/c2sc(=O)n(C)c2O)c1
InChIInChI=1S/C12H12N2O2S/c1-8-4-3-5-9(6-8)13-7-10-11(15)14(2)12(16)17-10/h3-7,15H,1-2H3/b13-7+
InChIKeyCJCHZGRWZPIYET-NTUHNPAUSA-N
MW248.31 g/mol
LogP2.21
Rot. Bonds2

About 4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one

4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one (PubChem CID 135941223) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one
PubChem CID135941223
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one
SMILESCc1cccc(/N=C/c2sc(=O)n(C)c2O)c1
InChIInChI=1S/C12H12N2O2S/c1-8-4-3-5-9(6-8)13-7-10-11(15)14(2)12(16)17-10/h3-7,15H,1-2H3/b13-7+
InChIKeyCJCHZGRWZPIYET-NTUHNPAUSA-N
XLogP2.21
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one (CID 135941223) is 4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one is Cc1cccc(/N=C/c2sc(=O)n(C)c2O)c1.
What is the InChIKey of 4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one?
The InChIKey is CJCHZGRWZPIYET-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-4-3-5-9(6-8)13-7-10-11(15)14(2)12(16)17-10/h3-7,15H,1-2H3/b13-7+.
What are the key properties of 4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one?
4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one has a molecular weight of 248.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 135941223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).