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

C14H5F5N2OS — CID 141404415

IUPAC3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2cc(F)c(F)c(F)c2s1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H5F5N2OS/c15-6-1-5(2-7(16)3-6)13(22)21-14-20-9-4-8(17)10(18)11(19)12(9)23-14/h1-4H,(H,20,21,22)
InChIKeyHEZUUWAKVMTJPX-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.24
Rot. Bonds2

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

3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 141404415) has the molecular formula C14H5F5N2OS and a molecular weight of 344.26 g/mol. Its IUPAC name is 3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide
PubChem CID141404415
Molecular FormulaC14H5F5N2OS
Molecular Weight344.26 g/mol
Exact Mass344.00
IUPAC Name3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2cc(F)c(F)c(F)c2s1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H5F5N2OS/c15-6-1-5(2-7(16)3-6)13(22)21-14-20-9-4-8(17)10(18)11(19)12(9)23-14/h1-4H,(H,20,21,22)
InChIKeyHEZUUWAKVMTJPX-UHFFFAOYSA-N
XLogP4.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.24
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-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461680
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide
CID 99285585
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 7192604
N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 142741981
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 141404448
3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide
CID 44586466
4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide
CID 63187259
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422
N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461424
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 5131349
3,4,5-trifluoro-N-(4-methyl-5-oxo-1,3,4-thiadiazol-2-yl)benzamide
CID 99800813

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide (CID 141404415) is 3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2cc(F)c(F)c(F)c2s1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is HEZUUWAKVMTJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5F5N2OS/c15-6-1-5(2-7(16)3-6)13(22)21-14-20-9-4-8(17)10(18)11(19)12(9)23-14/h1-4H,(H,20,21,22).
What are the key properties of 3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide?
3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 344.26 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 141404415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).