N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine

C20H26F3N3S — CID 72938455

IUPACN-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine
SMILESCN(Cc1nccs1)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H26F3N3S/c1-25(15-19-24-8-12-27-19)14-17-6-10-26(11-7-17)9-5-16-3-2-4-18(13-16)20(21,22)23/h2-4,8,12-13,17H,5-7,9-11,14-15H2,1H3
InChIKeyYKQILOXRJNTPHE-UHFFFAOYSA-N
MW397.51 g/mol
LogP4.55
Rot. Bonds7

About N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine

N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine (PubChem CID 72938455) has the molecular formula C20H26F3N3S and a molecular weight of 397.51 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine
PubChem CID72938455
Molecular FormulaC20H26F3N3S
Molecular Weight397.51 g/mol
Exact Mass397.18
IUPAC NameN-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine
SMILESCN(Cc1nccs1)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H26F3N3S/c1-25(15-19-24-8-12-27-19)14-17-6-10-26(11-7-17)9-5-16-3-2-4-18(13-16)20(21,22)23/h2-4,8,12-13,17H,5-7,9-11,14-15H2,1H3
InChIKeyYKQILOXRJNTPHE-UHFFFAOYSA-N
XLogP4.55
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine 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-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine (CID 72938455) is N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine is CN(Cc1nccs1)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine?
The InChIKey is YKQILOXRJNTPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3S/c1-25(15-19-24-8-12-27-19)14-17-6-10-26(11-7-17)9-5-16-3-2-4-18(13-16)20(21,22)23/h2-4,8,12-13,17H,5-7,9-11,14-15H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine?
N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine has a molecular weight of 397.51 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 72938455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).