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

C13H21ClF3N3S — CID 120842615

IUPACN-[[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2cnc(C(F)(F)F)s2)CC1.Cl
InChIInChI=1S/C13H20F3N3S.ClH/c1-2-17-7-10-3-5-19(6-4-10)9-11-8-18-12(20-11)13(14,15)16;/h8,10,17H,2-7,9H2,1H3;1H
InChIKeyGCSMYUXFLLSIKP-UHFFFAOYSA-N
MW343.85 g/mol
LogP3.41
Rot. Bonds5

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

N-[[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (PubChem CID 120842615) has the molecular formula C13H21ClF3N3S and a molecular weight of 343.85 g/mol. Its IUPAC name is N-[[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
PubChem CID120842615
Molecular FormulaC13H21ClF3N3S
Molecular Weight343.85 g/mol
Exact Mass343.11
IUPAC NameN-[[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2cnc(C(F)(F)F)s2)CC1.Cl
InChIInChI=1S/C13H20F3N3S.ClH/c1-2-17-7-10-3-5-19(6-4-10)9-11-8-18-12(20-11)13(14,15)16;/h8,10,17H,2-7,9H2,1H3;1H
InChIKeyGCSMYUXFLLSIKP-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (CID 120842615) is N-[[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is CCNCC1CCN(Cc2cnc(C(F)(F)F)s2)CC1.Cl.
What is the InChIKey of N-[[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The InChIKey is GCSMYUXFLLSIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S.ClH/c1-2-17-7-10-3-5-19(6-4-10)9-11-8-18-12(20-11)13(14,15)16;/h8,10,17H,2-7,9H2,1H3;1H.
What are the key properties of N-[[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
N-[[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride has a molecular weight of 343.85 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 120842615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).