N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide

C15H20F5N3O2S — CID 49072311

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(C(O)(CC(=O)NC2CCN(CC(F)F)CC2)C(F)(F)F)n1
InChIInChI=1S/C15H20F5N3O2S/c1-9-8-26-13(21-9)14(25,15(18,19)20)6-12(24)22-10-2-4-23(5-3-10)7-11(16)17/h8,10-11,25H,2-7H2,1H3,(H,22,24)
InChIKeyOOFXTIHOXDUZCB-UHFFFAOYSA-N
MW401.40 g/mol
LogP2.44
Rot. Bonds6

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 49072311) has the molecular formula C15H20F5N3O2S and a molecular weight of 401.40 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID49072311
Molecular FormulaC15H20F5N3O2S
Molecular Weight401.40 g/mol
Exact Mass401.12
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(C(O)(CC(=O)NC2CCN(CC(F)F)CC2)C(F)(F)F)n1
InChIInChI=1S/C15H20F5N3O2S/c1-9-8-26-13(21-9)14(25,15(18,19)20)6-12(24)22-10-2-4-23(5-3-10)7-11(16)17/h8,10-11,25H,2-7H2,1H3,(H,22,24)
InChIKeyOOFXTIHOXDUZCB-UHFFFAOYSA-N
XLogP2.44
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide 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 N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 49072311) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide is Cc1csc(C(O)(CC(=O)NC2CCN(CC(F)F)CC2)C(F)(F)F)n1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is OOFXTIHOXDUZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F5N3O2S/c1-9-8-26-13(21-9)14(25,15(18,19)20)6-12(24)22-10-2-4-23(5-3-10)7-11(16)17/h8,10-11,25H,2-7H2,1H3,(H,22,24).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 401.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 49072311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).