4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid

C9H11FN2O2S — CID 123247113

IUPAC4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)(c2nccs2)CC1
InChIInChI=1S/C9H11FN2O2S/c10-9(7-11-3-6-15-7)1-4-12(5-2-9)8(13)14/h3,6H,1-2,4-5H2,(H,13,14)
InChIKeyZNHWUIATDMSITD-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.08
Rot. Bonds1

About 4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid

4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid (PubChem CID 123247113) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid
PubChem CID123247113
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC Name4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)(c2nccs2)CC1
InChIInChI=1S/C9H11FN2O2S/c10-9(7-11-3-6-15-7)1-4-12(5-2-9)8(13)14/h3,6H,1-2,4-5H2,(H,13,14)
InChIKeyZNHWUIATDMSITD-UHFFFAOYSA-N
XLogP2.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid (CID 123247113) is 4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(F)(c2nccs2)CC1.
What is the InChIKey of 4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The InChIKey is ZNHWUIATDMSITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c10-9(7-11-3-6-15-7)1-4-12(5-2-9)8(13)14/h3,6H,1-2,4-5H2,(H,13,14).
What are the key properties of 4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 123247113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).