1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid

C10H11F3N2O2S — CID 122047371

IUPAC1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)7-5-14-9(18-7)15-3-1-6(2-4-15)8(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyGVPRNFOQEUOJGV-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.46
Rot. Bonds2

About 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid

1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid (PubChem CID 122047371) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
PubChem CID122047371
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)7-5-14-9(18-7)15-3-1-6(2-4-15)8(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyGVPRNFOQEUOJGV-UHFFFAOYSA-N
XLogP2.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid (CID 122047371) is 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ncc(C(F)(F)F)s2)CC1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
The InChIKey is GVPRNFOQEUOJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c11-10(12,13)7-5-14-9(18-7)15-3-1-6(2-4-15)8(16)17/h5-6H,1-4H2,(H,16,17).
What are the key properties of 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid?
1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid has a molecular weight of 280.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122047371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).