5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid

C15H14F2N2O2S — CID 118008916

IUPAC5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CC(F)CCC1c1csc(-c2ccc(F)cn2)n1
InChIInChI=1S/C15H14F2N2O2S/c16-8-1-3-10(11(5-8)15(20)21)13-7-22-14(19-13)12-4-2-9(17)6-18-12/h2,4,6-8,10-11H,1,3,5H2,(H,20,21)
InChIKeyHAKFYNDDMKOULG-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.65
Rot. Bonds3

About 5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid

5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid (PubChem CID 118008916) has the molecular formula C15H14F2N2O2S and a molecular weight of 324.35 g/mol. Its IUPAC name is 5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid
PubChem CID118008916
Molecular FormulaC15H14F2N2O2S
Molecular Weight324.35 g/mol
Exact Mass324.07
IUPAC Name5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CC(F)CCC1c1csc(-c2ccc(F)cn2)n1
InChIInChI=1S/C15H14F2N2O2S/c16-8-1-3-10(11(5-8)15(20)21)13-7-22-14(19-13)12-4-2-9(17)6-18-12/h2,4,6-8,10-11H,1,3,5H2,(H,20,21)
InChIKeyHAKFYNDDMKOULG-UHFFFAOYSA-N
XLogP3.65
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid (CID 118008916) is 5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid is O=C(O)C1CC(F)CCC1c1csc(-c2ccc(F)cn2)n1.
What is the InChIKey of 5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid?
The InChIKey is HAKFYNDDMKOULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2S/c16-8-1-3-10(11(5-8)15(20)21)13-7-22-14(19-13)12-4-2-9(17)6-18-12/h2,4,6-8,10-11H,1,3,5H2,(H,20,21).
What are the key properties of 5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid?
5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid has a molecular weight of 324.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118008916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).