N-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride

C12H19ClF3N3S — CID 120838996

IUPACN-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(Cc2cnc(C(F)(F)F)s2)CC1.Cl
InChIInChI=1S/C12H18F3N3S.ClH/c1-16-6-9-2-4-18(5-3-9)8-10-7-17-11(19-10)12(13,14)15;/h7,9,16H,2-6,8H2,1H3;1H
InChIKeyGIIAGPXLSIMYSI-UHFFFAOYSA-N
MW329.82 g/mol
LogP3.02
Rot. Bonds4

About N-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride

N-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride (PubChem CID 120838996) has the molecular formula C12H19ClF3N3S and a molecular weight of 329.82 g/mol. Its IUPAC name is N-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride
PubChem CID120838996
Molecular FormulaC12H19ClF3N3S
Molecular Weight329.82 g/mol
Exact Mass329.09
IUPAC NameN-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(Cc2cnc(C(F)(F)F)s2)CC1.Cl
InChIInChI=1S/C12H18F3N3S.ClH/c1-16-6-9-2-4-18(5-3-9)8-10-7-17-11(19-10)12(13,14)15;/h7,9,16H,2-6,8H2,1H3;1H
InChIKeyGIIAGPXLSIMYSI-UHFFFAOYSA-N
XLogP3.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride with MolForge

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Related Compounds

1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidine
CID 1481531
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidine
CID 3736777
4-(5-Methyl-1,3-thiazol-2-yl)piperidine
CID 62651152
2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 1481538
5-[[4-(Fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 126793861
2-(2-Tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 118303039
5-(Piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 120833676
N',N'-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 121378930
2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine
CID 134404948
2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 134404949
2-Tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole
CID 146338346
5-[(3,3-Difluoropiperidin-1-yl)methyl]-2-methyl-1,3-thiazole;ethane
CID 153556178

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride (CID 120838996) is N-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride is CNCC1CCN(Cc2cnc(C(F)(F)F)s2)CC1.Cl.
What is the InChIKey of N-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is GIIAGPXLSIMYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S.ClH/c1-16-6-9-2-4-18(5-3-9)8-10-7-17-11(19-10)12(13,14)15;/h7,9,16H,2-6,8H2,1H3;1H.
What are the key properties of N-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride?
N-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 329.82 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 120838996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).