N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride

C16H20Cl2F3N3OS — CID 120831654

IUPACN-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCNC(C)CNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1.Cl.Cl
InChIInChI=1S/C16H18F3N3OS.2ClH/c1-10(20-2)8-21-14(23)7-13-9-24-15(22-13)11-4-3-5-12(6-11)16(17,18)19;;/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,23);2*1H
InChIKeyIIFMIBGBVLCUMS-UHFFFAOYSA-N
MW430.32 g/mol
LogP3.94
Rot. Bonds6

About N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride

N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 120831654) has the molecular formula C16H20Cl2F3N3OS and a molecular weight of 430.32 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
PubChem CID120831654
Molecular FormulaC16H20Cl2F3N3OS
Molecular Weight430.32 g/mol
Exact Mass429.07
IUPAC NameN-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCNC(C)CNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1.Cl.Cl
InChIInChI=1S/C16H18F3N3OS.2ClH/c1-10(20-2)8-21-14(23)7-13-9-24-15(22-13)11-4-3-5-12(6-11)16(17,18)19;;/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,23);2*1H
InChIKeyIIFMIBGBVLCUMS-UHFFFAOYSA-N
XLogP3.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.32
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride 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-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 120831655
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120826548
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120651476
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120829889
N-(3-amino-2-methylpropyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119995232
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 31871936
4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]benzoic acid
CID 53353917
ethyl 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 12953395
2-methyl-3-[methyl-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122111619
N-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120599425
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 86877161
N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 119668781

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 120831654) is N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride is CNC(C)CNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1.Cl.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The InChIKey is IIFMIBGBVLCUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3OS.2ClH/c1-10(20-2)8-21-14(23)7-13-9-24-15(22-13)11-4-3-5-12(6-11)16(17,18)19;;/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,23);2*1H.
What are the key properties of N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?
N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 430.32 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 120831654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).