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

C13H19F3N4OS — CID 120837338

IUPACN-(2-aminoethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H19F3N4OS/c14-13(15,16)12-19-6-10(22-12)8-20-5-1-2-9(7-20)11(21)18-4-3-17/h6,9H,1-5,7-8,17H2,(H,18,21)
InChIKeyDHPRJTZIFNUANU-UHFFFAOYSA-N
MW336.38 g/mol
LogP1.45
Rot. Bonds5

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

N-(2-aminoethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 120837338) has the molecular formula C13H19F3N4OS and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID120837338
Molecular FormulaC13H19F3N4OS
Molecular Weight336.38 g/mol
Exact Mass336.12
IUPAC NameN-(2-aminoethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H19F3N4OS/c14-13(15,16)12-19-6-10(22-12)8-20-5-1-2-9(7-20)11(21)18-4-3-17/h6,9H,1-5,7-8,17H2,(H,18,21)
InChIKeyDHPRJTZIFNUANU-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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Related Compounds

1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 71867675
N-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
CID 73439408
1-[3-[(2-Cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one
CID 75380796
2-(1,3-thiazol-5-ylmethyl)-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one
CID 134789159
(3S)-3-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazin-2-one
CID 164632613
2-[4-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperazine-1-carbonyl]-2,5-diazaspiro[3.4]octan-6-one
CID 169691957
1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
CID 100679368
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110738973
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110739346
(4,4-Difluoropyrrolidin-2-yl)-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
CID 120352819
(4,4-Difluoropyrrolidin-2-yl)-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 120352820
2-[Methyl-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 120835964

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxamide (CID 120837338) is N-(2-aminoethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(Cc2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is DHPRJTZIFNUANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4OS/c14-13(15,16)12-19-6-10(22-12)8-20-5-1-2-9(7-20)11(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-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-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-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 120837338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).