N-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine

C21H22F3N3O2S — CID 163345206

IUPACN-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine
SMILESCN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H22F3N3O2S/c1-26(20-18-7-2-3-8-19(18)30(28,29)25-20)17-9-11-27(12-10-17)14-15-5-4-6-16(13-15)21(22,23)24/h2-8,13,17H,9-12,14H2,1H3
InChIKeyVBZALIDIRLJTLH-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.75
Rot. Bonds3

About N-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine

N-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine (PubChem CID 163345206) has the molecular formula C21H22F3N3O2S and a molecular weight of 437.49 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine
PubChem CID163345206
Molecular FormulaC21H22F3N3O2S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC NameN-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine
SMILESCN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H22F3N3O2S/c1-26(20-18-7-2-3-8-19(18)30(28,29)25-20)17-9-11-27(12-10-17)14-15-5-4-6-16(13-15)21(22,23)24/h2-8,13,17H,9-12,14H2,1H3
InChIKeyVBZALIDIRLJTLH-UHFFFAOYSA-N
XLogP3.75
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine 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

N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-1,1-dioxo-1,2-benzothiazol-3-amine
CID 155799470
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]cyclohexan-1-one
CID 79120610
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005
4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 3325305
N-methyl-1,1-dioxo-N-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]-1,2-benzothiazol-3-amine
CID 154829031
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27515044
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
CID 117068516
N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172892283
3-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 80677072
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine?
The IUPAC name of N-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine (CID 163345206) is N-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine?
The canonical SMILES for N-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine is CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine?
The InChIKey is VBZALIDIRLJTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O2S/c1-26(20-18-7-2-3-8-19(18)30(28,29)25-20)17-9-11-27(12-10-17)14-15-5-4-6-16(13-15)21(22,23)24/h2-8,13,17H,9-12,14H2,1H3.
What are the key properties of N-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine?
N-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine has a molecular weight of 437.49 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,2-benzothiazol-3-amine is sourced from PubChem (CID 163345206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).