ethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate

C12H10FNO3S — CID 7174188

IUPACethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(=O)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO3S/c1-2-17-11(15)10-9(14-12(16)18-10)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H,14,16)
InChIKeyPKKNEYUMWTWJPA-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.42
Rot. Bonds3

About ethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate

ethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate (PubChem CID 7174188) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate
PubChem CID7174188
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Nameethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(=O)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO3S/c1-2-17-11(15)10-9(14-12(16)18-10)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H,14,16)
InChIKeyPKKNEYUMWTWJPA-UHFFFAOYSA-N
XLogP2.42
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate (CID 7174188) is ethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(=O)[nH]c1-c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate?
The InChIKey is PKKNEYUMWTWJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c1-2-17-11(15)10-9(14-12(16)18-10)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H,14,16).
What are the key properties of ethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate?
ethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7174188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).