1H-pyrido[2,3-b][1,4]thiazin-2-one

C7H6N2OS — CID 29110

IUPAC1H-pyrido[2,3-b][1,4]thiazin-2-one
SMILESO=C1CSc2ncccc2N1
InChIInChI=1S/C7H6N2OS/c10-6-4-11-7-5(9-6)2-1-3-8-7/h1-3H,4H2,(H,9,10)
InChIKeyBOASKSPVGGTZKJ-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.13
Rot. Bonds

About 1H-pyrido[2,3-b][1,4]thiazin-2-one

1H-pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 29110) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is 1H-pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name1H-pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID29110
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC Name1H-pyrido[2,3-b][1,4]thiazin-2-one
SMILESO=C1CSc2ncccc2N1
InChIInChI=1S/C7H6N2OS/c10-6-4-11-7-5(9-6)2-1-3-8-7/h1-3H,4H2,(H,9,10)
InChIKeyBOASKSPVGGTZKJ-UHFFFAOYSA-N
XLogP1.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 1H-pyrido[2,3-b][1,4]thiazin-2-one (CID 29110) is 1H-pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 1H-pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 1H-pyrido[2,3-b][1,4]thiazin-2-one is O=C1CSc2ncccc2N1.
What is the InChIKey of 1H-pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is BOASKSPVGGTZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c10-6-4-11-7-5(9-6)2-1-3-8-7/h1-3H,4H2,(H,9,10).
What are the key properties of 1H-pyrido[2,3-b][1,4]thiazin-2-one?
1H-pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 166.21 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 29110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).