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

C12H10FNO2S — CID 22350273

IUPACethyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C12H10FNO2S/c1-2-16-12(15)10-7-14-11(17-10)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
InChIKeyHDYOHTMJAOFCSG-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.13
Rot. Bonds3

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

ethyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate (PubChem CID 22350273) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate
PubChem CID22350273
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Nameethyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C12H10FNO2S/c1-2-16-12(15)10-7-14-11(17-10)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
InChIKeyHDYOHTMJAOFCSG-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 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate (CID 22350273) is ethyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2F)s1.
What is the InChIKey of ethyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is HDYOHTMJAOFCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-2-16-12(15)10-7-14-11(17-10)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(2-fluorophenyl)-1,3-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 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 22350273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).