2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide

C17H13F3N2OS — CID 69267793

IUPAC2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3ccccc3C(F)(F)F)ccc2s1
InChIInChI=1S/C17H13F3N2OS/c1-10-22-14-8-11(6-7-15(14)24-10)16(23)21-9-12-4-2-3-5-13(12)17(18,19)20/h2-8H,9H2,1H3,(H,21,23)
InChIKeyNEWUMWGVHJJUCQ-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.55
Rot. Bonds3

About 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide

2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide (PubChem CID 69267793) has the molecular formula C17H13F3N2OS and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide
PubChem CID69267793
Molecular FormulaC17H13F3N2OS
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3ccccc3C(F)(F)F)ccc2s1
InChIInChI=1S/C17H13F3N2OS/c1-10-22-14-8-11(6-7-15(14)24-10)16(23)21-9-12-4-2-3-5-13(12)17(18,19)20/h2-8H,9H2,1H3,(H,21,23)
InChIKeyNEWUMWGVHJJUCQ-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide
CID 171676575
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-5-carboxamide
CID 27089017
3-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 62879274
N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 3154693
N-[2-(4-tert-butylphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide
CID 11544868
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35762734
2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 45138442
2-methyl-1,3-benzothiazole-5-carbonyl chloride
CID 45077000
4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 58396931
2-[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 25266234
tert-butyl 5-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]-1,3-dihydroisoindole-2-carboxylate
CID 59536542

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide (CID 69267793) is 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide is Cc1nc2cc(C(=O)NCc3ccccc3C(F)(F)F)ccc2s1.
What is the InChIKey of 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide?
The InChIKey is NEWUMWGVHJJUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2OS/c1-10-22-14-8-11(6-7-15(14)24-10)16(23)21-9-12-4-2-3-5-13(12)17(18,19)20/h2-8H,9H2,1H3,(H,21,23).
What are the key properties of 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide?
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 69267793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).