ethyl 5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

C12H10FNO2S — CID 19768560

IUPACethyl 5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO2S/c1-2-16-12(15)10-11(17-7-14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyBFHRLTVQBHYIQR-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.13
Rot. Bonds3

About ethyl 5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

ethyl 5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 19768560) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID19768560
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Nameethyl 5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO2S/c1-2-16-12(15)10-11(17-7-14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyBFHRLTVQBHYIQR-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 5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 19768560) is ethyl 5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1-c1ccc(F)cc1.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is BFHRLTVQBHYIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-2-16-12(15)10-11(17-7-14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
ethyl 5-(4-fluorophenyl)-1,3-thiazole-4-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 5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 19768560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).