ethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate

C14H14N2O4S — CID 135941213

IUPACethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate
SMILESCCOC(=O)c1ccc(/N=C/c2sc(=O)n(C)c2O)cc1
InChIInChI=1S/C14H14N2O4S/c1-3-20-13(18)9-4-6-10(7-5-9)15-8-11-12(17)16(2)14(19)21-11/h4-8,17H,3H2,1-2H3/b15-8+
InChIKeyXSEORCUDPSPZHB-OVCLIPMQSA-N
MW306.34 g/mol
LogP2.08
Rot. Bonds4

About ethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate

ethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate (PubChem CID 135941213) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is ethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate
PubChem CID135941213
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Nameethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate
SMILESCCOC(=O)c1ccc(/N=C/c2sc(=O)n(C)c2O)cc1
InChIInChI=1S/C14H14N2O4S/c1-3-20-13(18)9-4-6-10(7-5-9)15-8-11-12(17)16(2)14(19)21-11/h4-8,17H,3H2,1-2H3/b15-8+
InChIKeyXSEORCUDPSPZHB-OVCLIPMQSA-N
XLogP2.08
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-methyl-5-[(4-methylphenyl)iminomethyl]-1,3-thiazol-2-one
CID 135941224
ethyl 4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]benzoate
CID 137068988
ethyl 4-[(3,4-dihydroxyphenyl)methylideneamino]benzoate
CID 3416784
ethyl 4-[(5-cyano-1-hexyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylideneamino]benzoate
CID 135668980
ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate
CID 767234
ethyl 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzoate
CID 1286584
propyl 4-[(5-methylthiophen-2-yl)methylideneamino]benzoate
CID 3979255
ethyl 4-[(2-hydroxy-3-iodo-5-methylphenyl)methylideneamino]benzoate
CID 4095582
ethyl 4-[(1-butan-2-yl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]benzoate
CID 3903802
ethyl 4-[(2-methanehydrazonoylhydrazinyl)methylideneamino]benzoate
CID 57360950
ethyl 4-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]benzoate
CID 1237452
4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-(2-methylpropyl)-1,3-thiazol-2-one
CID 135941293

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate?
The IUPAC name of ethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate (CID 135941213) is ethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate.
What is the SMILES notation for ethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate?
The canonical SMILES for ethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate is CCOC(=O)c1ccc(/N=C/c2sc(=O)n(C)c2O)cc1.
What is the InChIKey of ethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate?
The InChIKey is XSEORCUDPSPZHB-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-3-20-13(18)9-4-6-10(7-5-9)15-8-11-12(17)16(2)14(19)21-11/h4-8,17H,3H2,1-2H3/b15-8+.
What are the key properties of ethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate?
ethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate has a molecular weight of 306.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-hydroxy-3-methyl-2-oxo-1,3-thiazol-5-yl)methylideneamino]benzoate is sourced from PubChem (CID 135941213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).