ethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate

C7H8FNO2S — CID 58897545

IUPACethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1F
InChIInChI=1S/C7H8FNO2S/c1-3-11-7(10)5-6(8)12-4(2)9-5/h3H2,1-2H3
InChIKeyJHZOMGIWTLAGID-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.77
Rot. Bonds2

About ethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate

ethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 58897545) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is ethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID58897545
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Nameethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1F
InChIInChI=1S/C7H8FNO2S/c1-3-11-7(10)5-6(8)12-4(2)9-5/h3H2,1-2H3
InChIKeyJHZOMGIWTLAGID-UHFFFAOYSA-N
XLogP1.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate (CID 58897545) is ethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C)sc1F.
What is the InChIKey of ethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is JHZOMGIWTLAGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-3-11-7(10)5-6(8)12-4(2)9-5/h3H2,1-2H3.
What are the key properties of ethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate?
ethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 58897545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).