N-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide

C13H19F3N4OS — CID 120837258

IUPACN-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H19F3N4OS/c14-13(15,16)10-6-19-11(22-10)8-20-5-1-2-9(7-20)12(21)18-4-3-17/h6,9H,1-5,7-8,17H2,(H,18,21)
InChIKeyCFTFIJPORSWHPZ-UHFFFAOYSA-N
MW336.38 g/mol
LogP1.45
Rot. Bonds5

About N-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 120837258) has the molecular formula C13H19F3N4OS and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
PubChem CID120837258
Molecular FormulaC13H19F3N4OS
Molecular Weight336.38 g/mol
Exact Mass336.12
IUPAC NameN-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H19F3N4OS/c14-13(15,16)10-6-19-11(22-10)8-20-5-1-2-9(7-20)12(21)18-4-3-17/h6,9H,1-5,7-8,17H2,(H,18,21)
InChIKeyCFTFIJPORSWHPZ-UHFFFAOYSA-N
XLogP1.45
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide (CID 120837258) is N-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(Cc2ncc(C(F)(F)F)s2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is CFTFIJPORSWHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4OS/c14-13(15,16)10-6-19-11(22-10)8-20-5-1-2-9(7-20)12(21)18-4-3-17/h6,9H,1-5,7-8,17H2,(H,18,21).
What are the key properties of N-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 120837258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).