ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate

C11H12N2O3S — CID 91926046

IUPACethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate
SMILESCCOC(=O)CC1Sc2ncccc2NC1=O
InChIInChI=1S/C11H12N2O3S/c1-2-16-9(14)6-8-10(15)13-7-4-3-5-12-11(7)17-8/h3-5,8H,2,6H2,1H3,(H,13,15)
InChIKeyHLIFRNAWRKCIER-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.45
Rot. Bonds3

About ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate

ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate (PubChem CID 91926046) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate
PubChem CID91926046
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Nameethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate
SMILESCCOC(=O)CC1Sc2ncccc2NC1=O
InChIInChI=1S/C11H12N2O3S/c1-2-16-9(14)6-8-10(15)13-7-4-3-5-12-11(7)17-8/h3-5,8H,2,6H2,1H3,(H,13,15)
InChIKeyHLIFRNAWRKCIER-UHFFFAOYSA-N
XLogP1.45
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate?
The IUPAC name of ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate (CID 91926046) is ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate is CCOC(=O)CC1Sc2ncccc2NC1=O.
What is the InChIKey of ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate?
The InChIKey is HLIFRNAWRKCIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-2-16-9(14)6-8-10(15)13-7-4-3-5-12-11(7)17-8/h3-5,8H,2,6H2,1H3,(H,13,15).
What are the key properties of ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate?
ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate has a molecular weight of 252.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate is sourced from PubChem (CID 91926046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).