3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one

C16H11NO2S — CID 135512928

IUPAC3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one
SMILESO=c1sc2ccccc2nc1/C=C(\O)c1ccccc1
InChIInChI=1S/C16H11NO2S/c18-14(11-6-2-1-3-7-11)10-13-16(19)20-15-9-5-4-8-12(15)17-13/h1-10,18H/b14-10-
InChIKeyZJPWNBDESIKKJZ-UVTDQMKNSA-N
MW281.34 g/mol
LogP3.71
Rot. Bonds2

About 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one

3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one (PubChem CID 135512928) has the molecular formula C16H11NO2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one
PubChem CID135512928
Molecular FormulaC16H11NO2S
Molecular Weight281.34 g/mol
Exact Mass281.05
IUPAC Name3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one
SMILESO=c1sc2ccccc2nc1/C=C(\O)c1ccccc1
InChIInChI=1S/C16H11NO2S/c18-14(11-6-2-1-3-7-11)10-13-16(19)20-15-9-5-4-8-12(15)17-13/h1-10,18H/b14-10-
InChIKeyZJPWNBDESIKKJZ-UVTDQMKNSA-N
XLogP3.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol
CID 507219
2-(1,3-benzothiazol-2-yl)-1-[4-(trichloromethyl)phenyl]ethenol
CID 173391309
(E)-3-(1,3-benzothiazol-2-yl)-2-phenylprop-2-enoic acid
CID 13082335
(Z)-N-(1,3-benzothiazol-2-yl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide
CID 154699140
3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135713003
1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one
CID 162414456
3-naphthalen-2-yl-1,4-benzothiazin-2-one
CID 139215524
3-(2-hydroxy-2-phenylethenyl)-6-methyl-1,4-benzoxazin-2-one
CID 705110
4-(1,3-benzothiazol-2-yl)-5-(5-bromothiophen-2-yl)pent-4-enoic acid
CID 4854820
2-bromo-1,3-benzothiazole;hydrazine
CID 174709808
(E)-2-(1,3-benzothiazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 135494332
bis(1,3-benzothiazol-2-yl) benzene-1,3-dicarboxylate
CID 66591523

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one?
The IUPAC name of 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one (CID 135512928) is 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one.
What is the SMILES notation for 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one?
The canonical SMILES for 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one is O=c1sc2ccccc2nc1/C=C(\O)c1ccccc1.
What is the InChIKey of 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one?
The InChIKey is ZJPWNBDESIKKJZ-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H11NO2S/c18-14(11-6-2-1-3-7-11)10-13-16(19)20-15-9-5-4-8-12(15)17-13/h1-10,18H/b14-10-.
What are the key properties of 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one?
3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one has a molecular weight of 281.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one is sourced from PubChem (CID 135512928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).