N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide

C15H6F6N2OS — CID 89461680

IUPACN-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(F)c(F)c(F)c2s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H6F6N2OS/c16-8-5-9-12(11(18)10(8)17)25-14(22-9)23-13(24)6-2-1-3-7(4-6)15(19,20)21/h1-5H,(H,22,23,24)
InChIKeySFTOAORMWKGIKS-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.98
Rot. Bonds2

About N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide

N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 89461680) has the molecular formula C15H6F6N2OS and a molecular weight of 376.28 g/mol. Its IUPAC name is N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID89461680
Molecular FormulaC15H6F6N2OS
Molecular Weight376.28 g/mol
Exact Mass376.01
IUPAC NameN-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(F)c(F)c(F)c2s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H6F6N2OS/c16-8-5-9-12(11(18)10(8)17)25-14(22-9)23-13(24)6-2-1-3-7(4-6)15(19,20)21/h1-5H,(H,22,23,24)
InChIKeySFTOAORMWKGIKS-UHFFFAOYSA-N
XLogP4.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461424
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 90606188
3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide
CID 141404415
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 2374848
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
N-(5-nitro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 16850466
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
2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride
CID 87544502
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-3-(trifluoromethyl)benzamide
CID 3307748
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 141404448
N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 4172951

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide (CID 89461680) is N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1nc2cc(F)c(F)c(F)c2s1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is SFTOAORMWKGIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F6N2OS/c16-8-5-9-12(11(18)10(8)17)25-14(22-9)23-13(24)6-2-1-3-7(4-6)15(19,20)21/h1-5H,(H,22,23,24).
What are the key properties of N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 376.28 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 89461680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).