N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C15H10F3N3OS — CID 34261151

IUPACN-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)nc1)c1nc2ccccc2s1
InChIInChI=1S/C15H10F3N3OS/c1-21(14-20-10-4-2-3-5-11(10)23-14)13(22)9-6-7-12(19-8-9)15(16,17)18/h2-8H,1H3
InChIKeyAUHTUNGTQNETOW-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.99
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 34261151) has the molecular formula C15H10F3N3OS and a molecular weight of 337.33 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID34261151
Molecular FormulaC15H10F3N3OS
Molecular Weight337.33 g/mol
Exact Mass337.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)nc1)c1nc2ccccc2s1
InChIInChI=1S/C15H10F3N3OS/c1-21(14-20-10-4-2-3-5-11(10)23-14)13(22)9-6-7-12(19-8-9)15(16,17)18/h2-8H,1H3
InChIKeyAUHTUNGTQNETOW-UHFFFAOYSA-N
XLogP3.99
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzothiazol-2-ylmethyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 33167619
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide
CID 17470701
N-[4-(1,3-benzothiazol-2-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33171274
N-(1,3-benzothiazol-2-yl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 34253736
N-[methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]-λ6-sulfanyl]-1,3-benzothiazol-2-amine
CID 91545992
N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide
CID 34247695
N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112843302
N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 16559857
N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 34250429
N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55510158
N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 34255200
N-(1,3-benzothiazol-2-yl)-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37494431

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 34261151) is N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is CN(C(=O)c1ccc(C(F)(F)F)nc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is AUHTUNGTQNETOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3OS/c1-21(14-20-10-4-2-3-5-11(10)23-14)13(22)9-6-7-12(19-8-9)15(16,17)18/h2-8H,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 337.33 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 34261151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).