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

C17H13F3N2OS — CID 30152626

IUPACN-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide
SMILESCCc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2s1
InChIInChI=1S/C17H13F3N2OS/c1-2-15-22-13-8-7-10(9-14(13)24-15)21-16(23)11-5-3-4-6-12(11)17(18,19)20/h3-9H,2H2,1H3,(H,21,23)
InChIKeyJBVNZZDUOJMTHT-UHFFFAOYSA-N
MW350.37 g/mol
LogP5.13
Rot. Bonds3

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

N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide (PubChem CID 30152626) has the molecular formula C17H13F3N2OS and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide
PubChem CID30152626
Molecular FormulaC17H13F3N2OS
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC NameN-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide
SMILESCCc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2s1
InChIInChI=1S/C17H13F3N2OS/c1-2-15-22-13-8-7-10(9-14(13)24-15)21-16(23)11-5-3-4-6-12(11)17(18,19)20/h3-9H,2H2,1H3,(H,21,23)
InChIKeyJBVNZZDUOJMTHT-UHFFFAOYSA-N
XLogP5.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 134046175
N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-2-(trifluoromethyl)benzamide
CID 46291162
N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide
CID 30152590
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
2-bromo-N-[2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
CID 124530152
N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide
CID 141434696
[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]carbamic acid
CID 138505851
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
1-(2-ethyl-1,3-benzothiazol-6-yl)-3-[(1S)-1-phenylethyl]thiourea
CID 100566727
N-[4-(diethylcarbamoyl)phenyl]-2-(trifluoromethyl)benzamide
CID 4785724
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 2381318

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide (CID 30152626) is N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide is CCc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2s1.
What is the InChIKey of N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is JBVNZZDUOJMTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2OS/c1-2-15-22-13-8-7-10(9-14(13)24-15)21-16(23)11-5-3-4-6-12(11)17(18,19)20/h3-9H,2H2,1H3,(H,21,23).
What are the key properties of N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide?
N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 350.37 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 30152626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).