2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol

C18H15N3O4S — CID 135838381

IUPAC2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol
SMILESCCN1C(c2nnc(-c3ccccc3)o2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C18H15N3O4S/c1-2-21-15(16(22)13-10-6-7-11-14(13)26(21,23)24)18-20-19-17(25-18)12-8-4-3-5-9-12/h3-11,22H,2H2,1H3
InChIKeyUSEXWQUIWWKVNJ-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.14
Rot. Bonds3

About 2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol

2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol (PubChem CID 135838381) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol.

Molecular Properties

Compound Name2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol
PubChem CID135838381
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol
SMILESCCN1C(c2nnc(-c3ccccc3)o2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C18H15N3O4S/c1-2-21-15(16(22)13-10-6-7-11-14(13)26(21,23)24)18-20-19-17(25-18)12-8-4-3-5-9-12/h3-11,22H,2H2,1H3
InChIKeyUSEXWQUIWWKVNJ-UHFFFAOYSA-N
XLogP3.14
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol with MolForge

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Related Compounds

2-methyl-3-(5-nonyl-1,3,4-oxadiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazin-4-ol
CID 135838386
beryllium;hydride;2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
CID 174487083
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
CID 59855596
[2-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-benzothiazin-4-yl] benzoate
CID 57278075
dibenzofuran;dibenzothiophene;dibenzothiophene 5,5-dioxide;2,5-diphenyl-1,3,4-oxadiazole;ethane
CID 158762554
ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 54008795
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one
CID 148946555
2-[2,3-bis(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 102173738
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
1,1-dioxo-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2-benzothiazol-3-one
CID 4786136

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol?
The IUPAC name of 2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol (CID 135838381) is 2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol.
What is the SMILES notation for 2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol?
The canonical SMILES for 2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol is CCN1C(c2nnc(-c3ccccc3)o2)=C(O)c2ccccc2S1(=O)=O.
What is the InChIKey of 2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol?
The InChIKey is USEXWQUIWWKVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-2-21-15(16(22)13-10-6-7-11-14(13)26(21,23)24)18-20-19-17(25-18)12-8-4-3-5-9-12/h3-11,22H,2H2,1H3.
What are the key properties of 2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol?
2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol has a molecular weight of 369.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,1-dioxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1λ6,2-benzothiazin-4-ol is sourced from PubChem (CID 135838381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).