N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide

C15H12F3N3OS — CID 3240597

IUPACN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCc1csc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)cn12
InChIInChI=1S/C15H12F3N3OS/c1-9-8-23-14-20-12(7-21(9)14)6-19-13(22)10-3-2-4-11(5-10)15(16,17)18/h2-5,7-8H,6H2,1H3,(H,19,22)
InChIKeyQXGXLNAUZYUGPZ-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.65
Rot. Bonds3

About N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide

N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 3240597) has the molecular formula C15H12F3N3OS and a molecular weight of 339.34 g/mol. Its IUPAC name is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID3240597
Molecular FormulaC15H12F3N3OS
Molecular Weight339.34 g/mol
Exact Mass339.07
IUPAC NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCc1csc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)cn12
InChIInChI=1S/C15H12F3N3OS/c1-9-8-23-14-20-12(7-21(9)14)6-19-13(22)10-3-2-4-11(5-10)15(16,17)18/h2-5,7-8H,6H2,1H3,(H,19,22)
InChIKeyQXGXLNAUZYUGPZ-UHFFFAOYSA-N
XLogP3.65
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 90555037
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(trifluoromethyl)benzoate
CID 7860118
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 66171794
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 20965885
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 121123542
N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 171682383
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide (CID 3240597) is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide is Cc1csc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)cn12.
What is the InChIKey of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QXGXLNAUZYUGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3OS/c1-9-8-23-14-20-12(7-21(9)14)6-19-13(22)10-3-2-4-11(5-10)15(16,17)18/h2-5,7-8H,6H2,1H3,(H,19,22).
What are the key properties of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide?
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 339.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3240597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).