N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide

C16H10F4N2OS — CID 89461424

IUPACN-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESCc1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1F
InChIInChI=1S/C16H10F4N2OS/c1-8-5-6-11-13(12(8)17)24-15(21-11)22-14(23)9-3-2-4-10(7-9)16(18,19)20/h2-7H,1H3,(H,21,22,23)
InChIKeyORJAYULXIMLIHK-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.01
Rot. Bonds2

About N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide

N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 89461424) has the molecular formula C16H10F4N2OS and a molecular weight of 354.33 g/mol. Its IUPAC name is N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID89461424
Molecular FormulaC16H10F4N2OS
Molecular Weight354.33 g/mol
Exact Mass354.04
IUPAC NameN-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESCc1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1F
InChIInChI=1S/C16H10F4N2OS/c1-8-5-6-11-13(12(8)17)24-15(21-11)22-14(23)9-3-2-4-10(7-9)16(18,19)20/h2-7H,1H3,(H,21,22,23)
InChIKeyORJAYULXIMLIHK-UHFFFAOYSA-N
XLogP5.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461680
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 90606188
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 3386091
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 7192788
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 2374848
N-(5-nitro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 16850466
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 46674238
2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride
CID 87544502
3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
CID 17463691
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-3-(trifluoromethyl)benzamide
CID 3307748

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide (CID 89461424) is N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide is Cc1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1F.
What is the InChIKey of N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is ORJAYULXIMLIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2OS/c1-8-5-6-11-13(12(8)17)24-15(21-11)22-14(23)9-3-2-4-10(7-9)16(18,19)20/h2-7H,1H3,(H,21,22,23).
What are the key properties of N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 354.33 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 89461424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).