(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate

C8H6N2O4S — CID 67995894

IUPAC(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate
SMILESO=C1CSc2ccc(OC(=O)O)nc2N1
InChIInChI=1S/C8H6N2O4S/c11-5-3-15-4-1-2-6(14-8(12)13)10-7(4)9-5/h1-2H,3H2,(H,12,13)(H,9,10,11)
InChIKeyYMBONBPRCUOWCL-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.18
Rot. Bonds1

About (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate

(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate (PubChem CID 67995894) has the molecular formula C8H6N2O4S and a molecular weight of 226.21 g/mol. Its IUPAC name is (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate.

Molecular Properties

Compound Name(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate
PubChem CID67995894
Molecular FormulaC8H6N2O4S
Molecular Weight226.21 g/mol
Exact Mass226.00
IUPAC Name(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate
SMILESO=C1CSc2ccc(OC(=O)O)nc2N1
InChIInChI=1S/C8H6N2O4S/c11-5-3-15-4-1-2-6(14-8(12)13)10-7(4)9-5/h1-2H,3H2,(H,12,13)(H,9,10,11)
InChIKeyYMBONBPRCUOWCL-UHFFFAOYSA-N
XLogP1.18
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate?
The IUPAC name of (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate (CID 67995894) is (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate.
What is the SMILES notation for (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate?
The canonical SMILES for (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate is O=C1CSc2ccc(OC(=O)O)nc2N1.
What is the InChIKey of (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate?
The InChIKey is YMBONBPRCUOWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4S/c11-5-3-15-4-1-2-6(14-8(12)13)10-7(4)9-5/h1-2H,3H2,(H,12,13)(H,9,10,11).
What are the key properties of (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate?
(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate has a molecular weight of 226.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl) hydrogen carbonate is sourced from PubChem (CID 67995894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).