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

C12H11NO3S — CID 175364490

IUPACethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(O)cc2)cs1
InChIInChI=1S/C12H11NO3S/c1-2-16-12(15)11-13-10(7-17-11)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3
InChIKeyCDOZOCUQDXFSPW-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.69
Rot. Bonds3

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

ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate (PubChem CID 175364490) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
PubChem CID175364490
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Nameethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(O)cc2)cs1
InChIInChI=1S/C12H11NO3S/c1-2-16-12(15)11-13-10(7-17-11)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3
InChIKeyCDOZOCUQDXFSPW-UHFFFAOYSA-N
XLogP2.69
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate
CID 46242291
ethyl 4-(3-formyl-4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364501
ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide
CID 71756591
ethyl 3-oxo-3-(4-phenyl-1,3-thiazol-2-yl)propanoate;ethyl 4-phenyl-1,3-thiazole-2-carboxylate
CID 161224499
ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate
CID 63992032
ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 22009789
ethyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate
CID 10423662
1-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63523872
ethyl 4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-2-carboxylate
CID 58752264
ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate
CID 19375962
ethyl 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carboxylate
CID 61385361
ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate
CID 21075145

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate (CID 175364490) is ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(-c2ccc(O)cc2)cs1.
What is the InChIKey of ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate?
The InChIKey is CDOZOCUQDXFSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-2-16-12(15)11-13-10(7-17-11)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3.
What are the key properties of ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate?
ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate has a molecular weight of 249.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 175364490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).