fluoro 1,3-thiazole-2-carboxylate

C4H2FNO2S — CID 67880229

IUPACfluoro 1,3-thiazole-2-carboxylate
SMILESO=C(OF)c1nccs1
InChIInChI=1S/C4H2FNO2S/c5-8-4(7)3-6-1-2-9-3/h1-2H
InChIKeyNBPGBICFRFQEKU-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.18
Rot. Bonds1

About fluoro 1,3-thiazole-2-carboxylate

fluoro 1,3-thiazole-2-carboxylate (PubChem CID 67880229) has the molecular formula C4H2FNO2S and a molecular weight of 147.13 g/mol. Its IUPAC name is fluoro 1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namefluoro 1,3-thiazole-2-carboxylate
PubChem CID67880229
Molecular FormulaC4H2FNO2S
Molecular Weight147.13 g/mol
Exact Mass146.98
IUPAC Namefluoro 1,3-thiazole-2-carboxylate
SMILESO=C(OF)c1nccs1
InChIInChI=1S/C4H2FNO2S/c5-8-4(7)3-6-1-2-9-3/h1-2H
InChIKeyNBPGBICFRFQEKU-UHFFFAOYSA-N
XLogP1.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 1,3-thiazole-2-carboxylate?
The IUPAC name of fluoro 1,3-thiazole-2-carboxylate (CID 67880229) is fluoro 1,3-thiazole-2-carboxylate.
What is the SMILES notation for fluoro 1,3-thiazole-2-carboxylate?
The canonical SMILES for fluoro 1,3-thiazole-2-carboxylate is O=C(OF)c1nccs1.
What is the InChIKey of fluoro 1,3-thiazole-2-carboxylate?
The InChIKey is NBPGBICFRFQEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2FNO2S/c5-8-4(7)3-6-1-2-9-3/h1-2H.
What are the key properties of fluoro 1,3-thiazole-2-carboxylate?
fluoro 1,3-thiazole-2-carboxylate has a molecular weight of 147.13 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1,3-thiazole-2-carboxylate is sourced from PubChem (CID 67880229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).