5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole

C20H14FNS — CID 152683927

IUPAC5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole
SMILESCN1C(=C=Cc2cccc3ccccc23)Sc2ccc(F)cc21
InChIInChI=1S/C20H14FNS/c1-22-18-13-16(21)10-11-19(18)23-20(22)12-9-15-7-4-6-14-5-2-3-8-17(14)15/h2-11,13H,1H3
InChIKeyZODIDEHIXDSEMR-UHFFFAOYSA-N
MW319.40 g/mol
LogP5.67
Rot. Bonds1

About 5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole

5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole (PubChem CID 152683927) has the molecular formula C20H14FNS and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole.

Molecular Properties

Compound Name5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole
PubChem CID152683927
Molecular FormulaC20H14FNS
Molecular Weight319.40 g/mol
Exact Mass319.08
IUPAC Name5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole
SMILESCN1C(=C=Cc2cccc3ccccc23)Sc2ccc(F)cc21
InChIInChI=1S/C20H14FNS/c1-22-18-13-16(21)10-11-19(18)23-20(22)12-9-15-7-4-6-14-5-2-3-8-17(14)15/h2-11,13H,1H3
InChIKeyZODIDEHIXDSEMR-UHFFFAOYSA-N
XLogP5.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methyl-5-phenyl-1,3-benzothiazol-2-ylidene)-1-naphthalen-1-ylethanone
CID 141149436
(2Z)-5-fluoro-3-methyl-2-[(E)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole
CID 90666967
(2Z)-5-chloro-3-methyl-2-[(1-methyl-4-naphthalen-1-ylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole
CID 177485663
2-[(E,3Z)-3-(5-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-3-methyl-1,3-benzoxazol-3-ium chloride
CID 90666957
(2Z)-N-[(4-fluorophenyl)methyl]-2-[(2-fluorophenyl)methylidene]-4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 46250264
(2Z)-2-[(6-ethoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-fluoro-3-methyl-1,3-benzothiazole iodide
CID 134101034
1-(2,2-difluoroethenyl)naphthalene;ethane
CID 91067867
2-[(Z)-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-6-fluoro-3-methyl-1,3-benzothiazol-3-ium
CID 134101047
(2E)-3,5-dimethyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole
CID 134100946
2-[(Z)-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-6-fluoro-3-methyl-1,3-benzothiazol-3-ium iodide
CID 134101046
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020
naphthalene-1-carbaldehyde;zinc
CID 88790891

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole?
The IUPAC name of 5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole (CID 152683927) is 5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole.
What is the SMILES notation for 5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole?
The canonical SMILES for 5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole is CN1C(=C=Cc2cccc3ccccc23)Sc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole?
The InChIKey is ZODIDEHIXDSEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNS/c1-22-18-13-16(21)10-11-19(18)23-20(22)12-9-15-7-4-6-14-5-2-3-8-17(14)15/h2-11,13H,1H3.
What are the key properties of 5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole?
5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole has a molecular weight of 319.40 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-2-(2-naphthalen-1-ylethenylidene)-1,3-benzothiazole is sourced from PubChem (CID 152683927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).