N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide

C17H12F3N3O2S — CID 134046175

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3ccccc3C(F)(F)F)sc2c1
InChIInChI=1S/C17H12F3N3O2S/c1-9(24)21-10-6-7-13-14(8-10)26-16(22-13)23-15(25)11-4-2-3-5-12(11)17(18,19)20/h2-8H,1H3,(H,21,24)(H,22,23,25)
InChIKeyWDERULMXHHBIAD-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.53
Rot. Bonds3

About N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide (PubChem CID 134046175) has the molecular formula C17H12F3N3O2S and a molecular weight of 379.36 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide
PubChem CID134046175
Molecular FormulaC17H12F3N3O2S
Molecular Weight379.36 g/mol
Exact Mass379.06
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3ccccc3C(F)(F)F)sc2c1
InChIInChI=1S/C17H12F3N3O2S/c1-9(24)21-10-6-7-13-14(8-10)26-16(22-13)23-15(25)11-4-2-3-5-12(11)17(18,19)20/h2-8H,1H3,(H,21,24)(H,22,23,25)
InChIKeyWDERULMXHHBIAD-UHFFFAOYSA-N
XLogP4.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide
CID 30152626
N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-2-(trifluoromethyl)benzamide
CID 46291162
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7267001
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 2374848
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 4622508
N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 2381318
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4063508
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 51336725
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 1092938
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4138821
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide (CID 134046175) is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide is CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3C(F)(F)F)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is WDERULMXHHBIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2S/c1-9(24)21-10-6-7-13-14(8-10)26-16(22-13)23-15(25)11-4-2-3-5-12(11)17(18,19)20/h2-8H,1H3,(H,21,24)(H,22,23,25).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 379.36 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 134046175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).