4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C17H15FN2OS — CID 3345967

IUPAC4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1ccc2s/c(=N\C(=O)c3ccc(F)cc3)n(C)c2c1C
InChIInChI=1S/C17H15FN2OS/c1-10-4-9-14-15(11(10)2)20(3)17(22-14)19-16(21)12-5-7-13(18)8-6-12/h4-9H,1-3H3/b19-17-
InChIKeyCOARGXKJHXQZER-ZPHPHTNESA-N
MW314.38 g/mol
LogP3.74
Rot. Bonds1

About 4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 3345967) has the molecular formula C17H15FN2OS and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID3345967
Molecular FormulaC17H15FN2OS
Molecular Weight314.38 g/mol
Exact Mass314.09
IUPAC Name4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1ccc2s/c(=N\C(=O)c3ccc(F)cc3)n(C)c2c1C
InChIInChI=1S/C17H15FN2OS/c1-10-4-9-14-15(11(10)2)20(3)17(22-14)19-16(21)12-5-7-13(18)8-6-12/h4-9H,1-3H3/b19-17-
InChIKeyCOARGXKJHXQZER-ZPHPHTNESA-N
XLogP3.74
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553228
3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3474147
2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5001748
4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2150824
2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40951787
4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2152779
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
CID 40885128
3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 16879982
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40885597
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5224044
2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553153
N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 5112536

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 3345967) is 4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is Cc1ccc2s/c(=N\C(=O)c3ccc(F)cc3)n(C)c2c1C.
What is the InChIKey of 4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is COARGXKJHXQZER-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-10-4-9-14-15(11(10)2)20(3)17(22-14)19-16(21)12-5-7-13(18)8-6-12/h4-9H,1-3H3/b19-17-.
What are the key properties of 4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 314.38 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 3345967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).