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

C18H22Cl2F3N3OS — CID 120599425

IUPACN-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCC1CC(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)CCN1.Cl.Cl
InChIInChI=1S/C18H20F3N3OS.2ClH/c1-11-7-14(5-6-22-11)23-16(25)9-15-10-26-17(24-15)12-3-2-4-13(8-12)18(19,20)21;;/h2-4,8,10-11,14,22H,5-7,9H2,1H3,(H,23,25);2*1H
InChIKeyGOAZPAGAAVYQHD-UHFFFAOYSA-N
MW456.36 g/mol
LogP4.47
Rot. Bonds4

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

N-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 120599425) has the molecular formula C18H22Cl2F3N3OS and a molecular weight of 456.36 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
PubChem CID120599425
Molecular FormulaC18H22Cl2F3N3OS
Molecular Weight456.36 g/mol
Exact Mass455.08
IUPAC NameN-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCC1CC(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)CCN1.Cl.Cl
InChIInChI=1S/C18H20F3N3OS.2ClH/c1-11-7-14(5-6-22-11)23-16(25)9-15-10-26-17(24-15)12-3-2-4-13(8-12)18(19,20)21;;/h2-4,8,10-11,14,22H,5-7,9H2,1H3,(H,23,25);2*1H
InChIKeyGOAZPAGAAVYQHD-UHFFFAOYSA-N
XLogP4.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.36
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120601114
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120601834
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide
CID 120601835
1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 120570378
2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120602063
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 35223807
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120831654
cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675846
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 120831655
N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 120599425) is N-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride is CC1CC(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)CCN1.Cl.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The InChIKey is GOAZPAGAAVYQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3OS.2ClH/c1-11-7-14(5-6-22-11)23-16(25)9-15-10-26-17(24-15)12-3-2-4-13(8-12)18(19,20)21;;/h2-4,8,10-11,14,22H,5-7,9H2,1H3,(H,23,25);2*1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?
N-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 456.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 120599425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).