5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid

C11H14FNO2S — CID 118008981

IUPAC5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid
SMILESCc1nc(C2CCC(F)CC2C(=O)O)cs1
InChIInChI=1S/C11H14FNO2S/c1-6-13-10(5-16-6)8-3-2-7(12)4-9(8)11(14)15/h5,7-9H,2-4H2,1H3,(H,14,15)
InChIKeyORAFGRZLTDQGFA-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.76
Rot. Bonds2

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

5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid (PubChem CID 118008981) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid
PubChem CID118008981
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid
SMILESCc1nc(C2CCC(F)CC2C(=O)O)cs1
InChIInChI=1S/C11H14FNO2S/c1-6-13-10(5-16-6)8-3-2-7(12)4-9(8)11(14)15/h5,7-9H,2-4H2,1H3,(H,14,15)
InChIKeyORAFGRZLTDQGFA-UHFFFAOYSA-N
XLogP2.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid (CID 118008981) is 5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid is Cc1nc(C2CCC(F)CC2C(=O)O)cs1.
What is the InChIKey of 5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid?
The InChIKey is ORAFGRZLTDQGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-6-13-10(5-16-6)8-3-2-7(12)4-9(8)11(14)15/h5,7-9H,2-4H2,1H3,(H,14,15).
What are the key properties of 5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid?
5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118008981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).