N-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide

C13H18F3N3OS — CID 127267363

IUPACN-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(CC(F)(F)F)CC1)NCc1nccs1
InChIInChI=1S/C13H18F3N3OS/c14-13(15,16)9-19-4-1-10(2-5-19)7-11(20)18-8-12-17-3-6-21-12/h3,6,10H,1-2,4-5,7-9H2,(H,18,20)
InChIKeyDXZUPUMZAOHEAM-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.42
Rot. Bonds5

About N-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide

N-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide (PubChem CID 127267363) has the molecular formula C13H18F3N3OS and a molecular weight of 321.37 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
PubChem CID127267363
Molecular FormulaC13H18F3N3OS
Molecular Weight321.37 g/mol
Exact Mass321.11
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(CC(F)(F)F)CC1)NCc1nccs1
InChIInChI=1S/C13H18F3N3OS/c14-13(15,16)9-19-4-1-10(2-5-19)7-11(20)18-8-12-17-3-6-21-12/h3,6,10H,1-2,4-5,7-9H2,(H,18,20)
InChIKeyDXZUPUMZAOHEAM-UHFFFAOYSA-N
XLogP2.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide 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-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide (CID 127267363) is N-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide is O=C(CC1CCN(CC(F)(F)F)CC1)NCc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
The InChIKey is DXZUPUMZAOHEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3OS/c14-13(15,16)9-19-4-1-10(2-5-19)7-11(20)18-8-12-17-3-6-21-12/h3,6,10H,1-2,4-5,7-9H2,(H,18,20).
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
N-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide has a molecular weight of 321.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 127267363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).