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

C12H12N2O2S — CID 135941224

IUPAC4-hydroxy-3-methyl-5-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one
SMILESCc1ccc(/N=C/c2sc(=O)n(C)c2O)cc1
InChIInChI=1S/C12H12N2O2S/c1-8-3-5-9(6-4-8)13-7-10-11(15)14(2)12(16)17-10/h3-7,15H,1-2H3/b13-7+
InChIKeyZWTQIHLIWXMXDV-NTUHNPAUSA-N
MW248.31 g/mol
LogP2.21
Rot. Bonds2

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

4-hydroxy-3-methyl-5-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one (PubChem CID 135941224) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-5-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-5-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one
PubChem CID135941224
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-hydroxy-3-methyl-5-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one
SMILESCc1ccc(/N=C/c2sc(=O)n(C)c2O)cc1
InChIInChI=1S/C12H12N2O2S/c1-8-3-5-9(6-4-8)13-7-10-11(15)14(2)12(16)17-10/h3-7,15H,1-2H3/b13-7+
InChIKeyZWTQIHLIWXMXDV-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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Related Compounds

4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one
CID 135941223
ethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate
CID 135941213
4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one
CID 135941305
4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one
CID 135941293
4-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-3-methyl-1,3-thiazole-2-thione
CID 3774507
3-benzyl-5-[(4-bromophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one
CID 135715288
dichloroiron;N-(4-methylphenyl)-1-[5-[(4-methylphenyl)iminomethyl]thiophen-2-yl]methanimine
CID 20701988
1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine
CID 86221310
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
4-hydroxy-3-methyl-5-[(2-methylphenyl)iminomethyl]-1,3-thiazole-2-thione
CID 3404736
3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one
CID 135941279

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-5-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-methyl-5-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one (CID 135941224) is 4-hydroxy-3-methyl-5-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-methyl-5-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-methyl-5-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one is Cc1ccc(/N=C/c2sc(=O)n(C)c2O)cc1.
What is the InChIKey of 4-hydroxy-3-methyl-5-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one?
The InChIKey is ZWTQIHLIWXMXDV-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-3-5-9(6-4-8)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-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one?
4-hydroxy-3-methyl-5-[(4-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-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 135941224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).