2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid

C9H11FN2O2S — CID 67527671

IUPAC2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2CCCC(F)C2)n1
InChIInChI=1S/C9H11FN2O2S/c10-6-2-1-3-12(4-6)9-11-7(5-15-9)8(13)14/h5-6H,1-4H2,(H,13,14)
InChIKeyKHXLDJYCEMWQLK-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.78
Rot. Bonds2

About 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid

2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 67527671) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID67527671
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC Name2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2CCCC(F)C2)n1
InChIInChI=1S/C9H11FN2O2S/c10-6-2-1-3-12(4-6)9-11-7(5-15-9)8(13)14/h5-6H,1-4H2,(H,13,14)
InChIKeyKHXLDJYCEMWQLK-UHFFFAOYSA-N
XLogP1.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid (CID 67527671) is 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(N2CCCC(F)C2)n1.
What is the InChIKey of 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is KHXLDJYCEMWQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c10-6-2-1-3-12(4-6)9-11-7(5-15-9)8(13)14/h5-6H,1-4H2,(H,13,14).
What are the key properties of 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropiperidin-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 67527671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).