ethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate

C12H10FNO2S — CID 22437348

IUPACethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2F)ns1
InChIInChI=1S/C12H10FNO2S/c1-2-16-12(15)11-7-10(14-17-11)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
InChIKeyZUQKYGFGKFWTTD-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.13
Rot. Bonds3

About ethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate

ethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate (PubChem CID 22437348) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate
PubChem CID22437348
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Nameethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2F)ns1
InChIInChI=1S/C12H10FNO2S/c1-2-16-12(15)11-7-10(14-17-11)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
InChIKeyZUQKYGFGKFWTTD-UHFFFAOYSA-N
XLogP3.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate?
The IUPAC name of ethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate (CID 22437348) is ethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate is CCOC(=O)c1cc(-c2ccccc2F)ns1.
What is the InChIKey of ethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate?
The InChIKey is ZUQKYGFGKFWTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-2-16-12(15)11-7-10(14-17-11)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3.
What are the key properties of ethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate?
ethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluorophenyl)-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 22437348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).