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

C14H8F2N2OS — CID 142741981

IUPACN-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2cc(F)c(F)cc2s1)c1ccccc1
InChIInChI=1S/C14H8F2N2OS/c15-9-6-11-12(7-10(9)16)20-14(17-11)18-13(19)8-4-2-1-3-5-8/h1-7H,(H,17,18,19)
InChIKeyAFQQYYWBAXABLD-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.83
Rot. Bonds2

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

N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 142741981) has the molecular formula C14H8F2N2OS and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
PubChem CID142741981
Molecular FormulaC14H8F2N2OS
Molecular Weight290.29 g/mol
Exact Mass290.03
IUPAC NameN-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2cc(F)c(F)cc2s1)c1ccccc1
InChIInChI=1S/C14H8F2N2OS/c15-9-6-11-12(7-10(9)16)20-14(17-11)18-13(19)8-4-2-1-3-5-8/h1-7H,(H,17,18,19)
InChIKeyAFQQYYWBAXABLD-UHFFFAOYSA-N
XLogP3.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 141404448
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 47086370
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422
N-(6-cyano-1,3-benzothiazol-2-yl)benzamide
CID 25259294
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide
CID 99285585
(2-benzamido-1,3-benzothiazol-6-yl) benzoate
CID 86658020
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
4-benzoyl-N-(6-nitroso-1,3-benzothiazol-2-yl)benzamide
CID 143038300
4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide
CID 63187259
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide (CID 142741981) is N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccccc1.
What is the InChIKey of N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is AFQQYYWBAXABLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2OS/c15-9-6-11-12(7-10(9)16)20-14(17-11)18-13(19)8-4-2-1-3-5-8/h1-7H,(H,17,18,19).
What are the key properties of N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide?
N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 290.29 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 142741981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).