4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide

C17H15FN2O2S — CID 2150824

IUPAC4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1ccc(C)c2s/c(=N\C(=O)c3ccc(F)cc3)n(C)c12
InChIInChI=1S/C17H15FN2O2S/c1-10-4-9-13(22-3)14-15(10)23-17(20(14)2)19-16(21)11-5-7-12(18)8-6-11/h4-9H,1-3H3/b19-17-
InChIKeyJNSOFFHWZIFLKQ-ZPHPHTNESA-N
MW330.38 g/mol
LogP3.44
Rot. Bonds2

About 4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 2150824) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID2150824
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1ccc(C)c2s/c(=N\C(=O)c3ccc(F)cc3)n(C)c12
InChIInChI=1S/C17H15FN2O2S/c1-10-4-9-13(22-3)14-15(10)23-17(20(14)2)19-16(21)11-5-7-12(18)8-6-11/h4-9H,1-3H3/b19-17-
InChIKeyJNSOFFHWZIFLKQ-ZPHPHTNESA-N
XLogP3.44
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfanylbenzamide
CID 41127134
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7152631
4-tert-butyl-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885349
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 2150950
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045476
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4111010
4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3345967
4-[(4-fluorophenyl)sulfonylamino]-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121044492
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 2150968
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40885254
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 2150976
2-ethyl-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide
CID 42111312

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 2150824) is 4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is COc1ccc(C)c2s/c(=N\C(=O)c3ccc(F)cc3)n(C)c12.
What is the InChIKey of 4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is JNSOFFHWZIFLKQ-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-10-4-9-13(22-3)14-15(10)23-17(20(14)2)19-16(21)11-5-7-12(18)8-6-11/h4-9H,1-3H3/b19-17-.
What are the key properties of 4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 330.38 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 2150824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).