N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide

C14H15F3N4OS — CID 46801631

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(C(F)(F)F)C1)Nc1cccc2nsnc12
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)9-3-2-6-21(7-9)8-12(22)18-10-4-1-5-11-13(10)20-23-19-11/h1,4-5,9H,2-3,6-8H2,(H,18,22)
InChIKeyQUKGITSFGHMLGF-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.90
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 46801631) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID46801631
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(C(F)(F)F)C1)Nc1cccc2nsnc12
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)9-3-2-6-21(7-9)8-12(22)18-10-4-1-5-11-13(10)20-23-19-11/h1,4-5,9H,2-3,6-8H2,(H,18,22)
InChIKeyQUKGITSFGHMLGF-UHFFFAOYSA-N
XLogP2.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 51170643
N-(2,3-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801707
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282246
2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 65249909
N-(2-benzoylphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27224348
2-[4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 46809920
N-(5-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801664
N-(2,1,3-benzothiadiazol-4-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684776
N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 4844877
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 42949652
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171691104
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17149004

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide (CID 46801631) is N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide is O=C(CN1CCCC(C(F)(F)F)C1)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is QUKGITSFGHMLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c15-14(16,17)9-3-2-6-21(7-9)8-12(22)18-10-4-1-5-11-13(10)20-23-19-11/h1,4-5,9H,2-3,6-8H2,(H,18,22).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 344.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 46801631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).