6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one

C13H11N3OS — CID 11777232

IUPAC6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCc1nc2c(cc1-c1ccncc1)SCC(=O)N2
InChIInChI=1S/C13H11N3OS/c1-8-10(9-2-4-14-5-3-9)6-11-13(15-8)16-12(17)7-18-11/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyRRWZOVNYAGGJGW-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.50
Rot. Bonds1

About 6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 11777232) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID11777232
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCc1nc2c(cc1-c1ccncc1)SCC(=O)N2
InChIInChI=1S/C13H11N3OS/c1-8-10(9-2-4-14-5-3-9)6-11-13(15-8)16-12(17)7-18-11/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyRRWZOVNYAGGJGW-UHFFFAOYSA-N
XLogP2.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 11777232) is 6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one is Cc1nc2c(cc1-c1ccncc1)SCC(=O)N2.
What is the InChIKey of 6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is RRWZOVNYAGGJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-10(9-2-4-14-5-3-9)6-11-13(15-8)16-12(17)7-18-11/h2-6H,7H2,1H3,(H,15,16,17).
What are the key properties of 6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 257.32 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-pyridin-4-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 11777232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).