N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide

C16H11F3N2OS — CID 2104924

IUPACN-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
SMILESCCn1/c(=N/C(=O)c2c(F)cccc2F)sc2cc(F)ccc21
InChIInChI=1S/C16H11F3N2OS/c1-2-21-12-7-6-9(17)8-13(12)23-16(21)20-15(22)14-10(18)4-3-5-11(14)19/h3-8H,2H2,1H3/b20-16-
InChIKeyBAIZWTLJJXFKQO-SILNSSARSA-N
MW336.34 g/mol
LogP3.88
Rot. Bonds2

About N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide

N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide (PubChem CID 2104924) has the molecular formula C16H11F3N2OS and a molecular weight of 336.34 g/mol. Its IUPAC name is N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
PubChem CID2104924
Molecular FormulaC16H11F3N2OS
Molecular Weight336.34 g/mol
Exact Mass336.05
IUPAC NameN-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
SMILESCCn1/c(=N/C(=O)c2c(F)cccc2F)sc2cc(F)ccc21
InChIInChI=1S/C16H11F3N2OS/c1-2-21-12-7-6-9(17)8-13(12)23-16(21)20-15(22)14-10(18)4-3-5-11(14)19/h3-8H,2H2,1H3/b20-16-
InChIKeyBAIZWTLJJXFKQO-SILNSSARSA-N
XLogP3.88
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 4190703
methyl 4-[(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 3577819
4-bromo-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 2104887
2,5-dichloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
CID 4569573
4-cyano-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 4100552
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-[2-[(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)amino]-2-oxoethoxy]acetamide
CID 4061370
N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
CID 16850894
2,6-difluoro-N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7540877
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
CID 5077933
methyl 2-(2,6-difluorobenzoyl)imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
CID 3388451
ethyl 2-[2-(2,6-difluorobenzoyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 41102509
N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2,6-difluorobenzamide
CID 4095095

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide?
The IUPAC name of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide (CID 2104924) is N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide.
What is the SMILES notation for N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide?
The canonical SMILES for N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide is CCn1/c(=N/C(=O)c2c(F)cccc2F)sc2cc(F)ccc21.
What is the InChIKey of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide?
The InChIKey is BAIZWTLJJXFKQO-SILNSSARSA-N. The full InChI is InChI=1S/C16H11F3N2OS/c1-2-21-12-7-6-9(17)8-13(12)23-16(21)20-15(22)14-10(18)4-3-5-11(14)19/h3-8H,2H2,1H3/b20-16-.
What are the key properties of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide?
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide has a molecular weight of 336.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide is sourced from PubChem (CID 2104924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).