1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone

C11H12F2N2O2S — CID 121308347

IUPAC1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(C(=O)N2CCC(F)(F)CC2)cs1
InChIInChI=1S/C11H12F2N2O2S/c1-7(16)9-14-8(6-18-9)10(17)15-4-2-11(12,13)3-5-15/h6H,2-5H2,1H3
InChIKeyKAIJURKJTSEQGQ-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.22
Rot. Bonds2

About 1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone

1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 121308347) has the molecular formula C11H12F2N2O2S and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone
PubChem CID121308347
Molecular FormulaC11H12F2N2O2S
Molecular Weight274.29 g/mol
Exact Mass274.06
IUPAC Name1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(C(=O)N2CCC(F)(F)CC2)cs1
InChIInChI=1S/C11H12F2N2O2S/c1-7(16)9-14-8(6-18-9)10(17)15-4-2-11(12,13)3-5-15/h6H,2-5H2,1H3
InChIKeyKAIJURKJTSEQGQ-UHFFFAOYSA-N
XLogP2.22
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone (CID 121308347) is 1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(C(=O)N2CCC(F)(F)CC2)cs1.
What is the InChIKey of 1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is KAIJURKJTSEQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2S/c1-7(16)9-14-8(6-18-9)10(17)15-4-2-11(12,13)3-5-15/h6H,2-5H2,1H3.
What are the key properties of 1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone?
1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 274.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 121308347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).