2-ethoxy-1,3-benzothiazin-4-one

C10H9NO2S — CID 142730051

IUPAC2-ethoxy-1,3-benzothiazin-4-one
SMILESCCOc1nc(=O)c2ccccc2s1
InChIInChI=1S/C10H9NO2S/c1-2-13-10-11-9(12)7-5-3-4-6-8(7)14-10/h3-6H,2H2,1H3
InChIKeyUQHYZXOOVDCBDE-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.06
Rot. Bonds2

About 2-ethoxy-1,3-benzothiazin-4-one

2-ethoxy-1,3-benzothiazin-4-one (PubChem CID 142730051) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-ethoxy-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name2-ethoxy-1,3-benzothiazin-4-one
PubChem CID142730051
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name2-ethoxy-1,3-benzothiazin-4-one
SMILESCCOc1nc(=O)c2ccccc2s1
InChIInChI=1S/C10H9NO2S/c1-2-13-10-11-9(12)7-5-3-4-6-8(7)14-10/h3-6H,2H2,1H3
InChIKeyUQHYZXOOVDCBDE-UHFFFAOYSA-N
XLogP2.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-ethoxy-1,3-benzothiazole
CID 91810914
(E)-3-(4-ethoxyphenyl)-2-(4-oxo-1,3-benzothiazin-2-yl)prop-2-enenitrile
CID 6194025
2-ethoxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 175731283
2-ethoxythioxanthen-9-one
CID 14150410
2-ethoxydibenzothiophene
CID 102527162
2-nitro-1,3-benzothiazin-4-one
CID 141446794
9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one
CID 12720089
[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl methanesulfonate
CID 59750375
2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one
CID 59750321
2-(2,6-dimethylpiperidin-1-yl)-1,3-benzothiazin-4-one
CID 59485297
N-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]methyl]propanamide
CID 59750137
2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one
CID 175663483

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-benzothiazin-4-one?
The IUPAC name of 2-ethoxy-1,3-benzothiazin-4-one (CID 142730051) is 2-ethoxy-1,3-benzothiazin-4-one.
What is the SMILES notation for 2-ethoxy-1,3-benzothiazin-4-one?
The canonical SMILES for 2-ethoxy-1,3-benzothiazin-4-one is CCOc1nc(=O)c2ccccc2s1.
What is the InChIKey of 2-ethoxy-1,3-benzothiazin-4-one?
The InChIKey is UQHYZXOOVDCBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-2-13-10-11-9(12)7-5-3-4-6-8(7)14-10/h3-6H,2H2,1H3.
What are the key properties of 2-ethoxy-1,3-benzothiazin-4-one?
2-ethoxy-1,3-benzothiazin-4-one has a molecular weight of 207.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-benzothiazin-4-one is sourced from PubChem (CID 142730051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).