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

C12H10FNO3S — CID 136938657

IUPACethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(O)cc2F)n1
InChIInChI=1S/C12H10FNO3S/c1-2-17-12(16)10-6-18-11(14-10)8-4-3-7(15)5-9(8)13/h3-6,15H,2H2,1H3
InChIKeyCXZPPCQYLHQUPD-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.83
Rot. Bonds3

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

ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 136938657) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID136938657
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Nameethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(O)cc2F)n1
InChIInChI=1S/C12H10FNO3S/c1-2-17-12(16)10-6-18-11(14-10)8-4-3-7(15)5-9(8)13/h3-6,15H,2H2,1H3
InChIKeyCXZPPCQYLHQUPD-UHFFFAOYSA-N
XLogP2.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114905320
2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylic acid;ethyl 2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylate
CID 160576050
ethyl 2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 115422462
ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 106819010
ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114884535
ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 58924938
ethyl 2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate
CID 59345227
ethyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 137146915
ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 104822748
ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 78974871
ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 169498589
ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine
CID 70160605

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate (CID 136938657) is ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2ccc(O)cc2F)n1.
What is the InChIKey of ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is CXZPPCQYLHQUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c1-2-17-12(16)10-6-18-11(14-10)8-4-3-7(15)5-9(8)13/h3-6,15H,2H2,1H3.
What are the key properties of ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 136938657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).