ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate

C14H13NO4S — CID 136701775

IUPACethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(O)cc2)sc1C(C)=O
InChIInChI=1S/C14H13NO4S/c1-3-19-14(18)11-12(8(2)16)20-13(15-11)9-4-6-10(17)7-5-9/h4-7,17H,3H2,1-2H3
InChIKeyRPXGYUWOYWVEEL-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.89
Rot. Bonds4

About ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate

ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 136701775) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID136701775
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Nameethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(O)cc2)sc1C(C)=O
InChIInChI=1S/C14H13NO4S/c1-3-19-14(18)11-12(8(2)16)20-13(15-11)9-4-6-10(17)7-5-9/h4-7,17H,3H2,1-2H3
InChIKeyRPXGYUWOYWVEEL-UHFFFAOYSA-N
XLogP2.89
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-acetyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 107376184
ethyl 5-acetyl-2-(3,4-dimethylphenyl)-1,3-thiazole-4-carboxylate
CID 107376127
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
ethyl 5-acetyl-2-(3-bromo-4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 107376113
ethyl 5-acetyl-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxylate
CID 107376630
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
CID 112693784
methyl 5-acetyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 106695962
methyl 5-acetyl-2-(3,4-dihydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136889058
ethyl 5-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 116526123
diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate
CID 167933710

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate (CID 136701775) is ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(O)cc2)sc1C(C)=O.
What is the InChIKey of ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is RPXGYUWOYWVEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-3-19-14(18)11-12(8(2)16)20-13(15-11)9-4-6-10(17)7-5-9/h4-7,17H,3H2,1-2H3.
What are the key properties of ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate?
ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 291.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 136701775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).