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

C14H14N2O2S — CID 135941305

IUPAC4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one
SMILESC=CCn1c(O)c(/C=N/c2ccc(C)cc2)sc1=O
InChIInChI=1S/C14H14N2O2S/c1-3-8-16-13(17)12(19-14(16)18)9-15-11-6-4-10(2)5-7-11/h3-7,9,17H,1,8H2,2H3/b15-9+
InChIKeyLQMWWYOLKWCFHB-OQLLNIDSSA-N
MW274.35 g/mol
LogP2.86
Rot. Bonds4

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

4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one (PubChem CID 135941305) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one
PubChem CID135941305
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one
SMILESC=CCn1c(O)c(/C=N/c2ccc(C)cc2)sc1=O
InChIInChI=1S/C14H14N2O2S/c1-3-8-16-13(17)12(19-14(16)18)9-15-11-6-4-10(2)5-7-11/h3-7,9,17H,1,8H2,2H3/b15-9+
InChIKeyLQMWWYOLKWCFHB-OQLLNIDSSA-N
XLogP2.86
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one
CID 135941293
4-hydroxy-3-methyl-5-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one
CID 135941224
4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one
CID 54224698
ethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate
CID 135941213
4-hydroxy-3-methyl-5-[(3-methylphenyl)iminomethyl]-1,3-thiazol-2-one
CID 135941223
3-butyl-4-hydroxy-5-[(2-methylphenyl)iminomethyl]-1,3-thiazol-2-one
CID 135941279
methyl 2-[(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)methylideneamino]benzoate
CID 4570410
2-[(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]-5-(4-methylphenyl)imino-1,3-oxazole-4-carbonitrile
CID 135401747
6-hydroxy-5-(phenyliminomethyl)-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
CID 135784212
1-butyl-5-[[4-[(1-butyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylideneamino]phenyl]iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 136740461
dichloroiron;N-(4-methylphenyl)-1-[5-[(4-methylphenyl)iminomethyl]thiophen-2-yl]methanimine
CID 20701988
6-(4-methylphenyl)-1-prop-2-enylpyridin-2-one
CID 3452610

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one (CID 135941305) is 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one is C=CCn1c(O)c(/C=N/c2ccc(C)cc2)sc1=O.
What is the InChIKey of 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one?
The InChIKey is LQMWWYOLKWCFHB-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-3-8-16-13(17)12(19-14(16)18)9-15-11-6-4-10(2)5-7-11/h3-7,9,17H,1,8H2,2H3/b15-9+.
What are the key properties of 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one?
4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one has a molecular weight of 274.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one is sourced from PubChem (CID 135941305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).