3-naphthalen-2-yl-1,4-benzothiazin-2-one

C18H11NOS — CID 139215524

IUPAC3-naphthalen-2-yl-1,4-benzothiazin-2-one
SMILESO=c1sc2ccccc2nc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H11NOS/c20-18-17(19-15-7-3-4-8-16(15)21-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H
InChIKeyHFNWSJARSFVOCE-UHFFFAOYSA-N
MW289.36 g/mol
LogP4.48
Rot. Bonds1

About 3-naphthalen-2-yl-1,4-benzothiazin-2-one

3-naphthalen-2-yl-1,4-benzothiazin-2-one (PubChem CID 139215524) has the molecular formula C18H11NOS and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-naphthalen-2-yl-1,4-benzothiazin-2-one.

Molecular Properties

Compound Name3-naphthalen-2-yl-1,4-benzothiazin-2-one
PubChem CID139215524
Molecular FormulaC18H11NOS
Molecular Weight289.36 g/mol
Exact Mass289.06
IUPAC Name3-naphthalen-2-yl-1,4-benzothiazin-2-one
SMILESO=c1sc2ccccc2nc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H11NOS/c20-18-17(19-15-7-3-4-8-16(15)21-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H
InChIKeyHFNWSJARSFVOCE-UHFFFAOYSA-N
XLogP4.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline
CID 164956800
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole
CID 163592930
2-[4-[4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole
CID 70829910
N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
2-[3-(1,3-benzothiazol-2-yl)-5-[4-(3,5-diphenylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole
CID 176740318
2-[6-(4-pyridin-4-ylphenyl)naphthalen-2-yl]-1,3-benzothiazole
CID 171056370
2-naphthalen-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 170404333
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzothiazole
CID 134237425
2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole
CID 21058775
2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850431
1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 176651602

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-1,4-benzothiazin-2-one?
The IUPAC name of 3-naphthalen-2-yl-1,4-benzothiazin-2-one (CID 139215524) is 3-naphthalen-2-yl-1,4-benzothiazin-2-one.
What is the SMILES notation for 3-naphthalen-2-yl-1,4-benzothiazin-2-one?
The canonical SMILES for 3-naphthalen-2-yl-1,4-benzothiazin-2-one is O=c1sc2ccccc2nc1-c1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-1,4-benzothiazin-2-one?
The InChIKey is HFNWSJARSFVOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NOS/c20-18-17(19-15-7-3-4-8-16(15)21-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H.
What are the key properties of 3-naphthalen-2-yl-1,4-benzothiazin-2-one?
3-naphthalen-2-yl-1,4-benzothiazin-2-one has a molecular weight of 289.36 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-1,4-benzothiazin-2-one is sourced from PubChem (CID 139215524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).