N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C17H20F3N5OS — CID 139500930

IUPACN-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC[C@H](Cc3ncc(C(F)(F)F)cn3)C2)s1
InChIInChI=1S/C17H20F3N5OS/c1-11(26)24-16-23-8-14(27-16)10-25-4-2-3-12(9-25)5-15-21-6-13(7-22-15)17(18,19)20/h6-8,12H,2-5,9-10H2,1H3,(H,23,24,26)/t12-/m1/s1
InChIKeyCYVJSVAXGWYADT-GFCCVEGCSA-N
MW399.44 g/mol
LogP3.37
Rot. Bonds5

About N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139500930) has the molecular formula C17H20F3N5OS and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID139500930
Molecular FormulaC17H20F3N5OS
Molecular Weight399.44 g/mol
Exact Mass399.13
IUPAC NameN-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC[C@H](Cc3ncc(C(F)(F)F)cn3)C2)s1
InChIInChI=1S/C17H20F3N5OS/c1-11(26)24-16-23-8-14(27-16)10-25-4-2-3-12(9-25)5-15-21-6-13(7-22-15)17(18,19)20/h6-8,12H,2-5,9-10H2,1H3,(H,23,24,26)/t12-/m1/s1
InChIKeyCYVJSVAXGWYADT-GFCCVEGCSA-N
XLogP3.37
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-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-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 139500930) is N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC[C@H](Cc3ncc(C(F)(F)F)cn3)C2)s1.
What is the InChIKey of N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CYVJSVAXGWYADT-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20F3N5OS/c1-11(26)24-16-23-8-14(27-16)10-25-4-2-3-12(9-25)5-15-21-6-13(7-22-15)17(18,19)20/h6-8,12H,2-5,9-10H2,1H3,(H,23,24,26)/t12-/m1/s1.
What are the key properties of N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 399.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139500930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).