2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole

C11H16F2N2S — CID 167862701

IUPAC2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole
SMILESCCc1sc(N2CCC(F)(F)CC2)nc1C
InChIInChI=1S/C11H16F2N2S/c1-3-9-8(2)14-10(16-9)15-6-4-11(12,13)5-7-15/h3-7H2,1-2H3
InChIKeyLCKHSUWURSGJLM-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.25
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole

2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole (PubChem CID 167862701) has the molecular formula C11H16F2N2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole
PubChem CID167862701
Molecular FormulaC11H16F2N2S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole
SMILESCCc1sc(N2CCC(F)(F)CC2)nc1C
InChIInChI=1S/C11H16F2N2S/c1-3-9-8(2)14-10(16-9)15-6-4-11(12,13)5-7-15/h3-7H2,1-2H3
InChIKeyLCKHSUWURSGJLM-UHFFFAOYSA-N
XLogP3.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole 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 2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole (CID 167862701) is 2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole is CCc1sc(N2CCC(F)(F)CC2)nc1C.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole?
The InChIKey is LCKHSUWURSGJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2S/c1-3-9-8(2)14-10(16-9)15-6-4-11(12,13)5-7-15/h3-7H2,1-2H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole?
2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole has a molecular weight of 246.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 167862701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).