2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one

C12H9N3OS2 — CID 23287621

IUPAC2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one
SMILESCN(c1ccsc1)c1nc(=O)c2cccnc2s1
InChIInChI=1S/C12H9N3OS2/c1-15(8-4-6-17-7-8)12-14-10(16)9-3-2-5-13-11(9)18-12/h2-7H,1H3
InChIKeyHPUOFVZOQMVDHR-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.88
Rot. Bonds2

About 2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one

2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one (PubChem CID 23287621) has the molecular formula C12H9N3OS2 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one
PubChem CID23287621
Molecular FormulaC12H9N3OS2
Molecular Weight275.36 g/mol
Exact Mass275.02
IUPAC Name2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one
SMILESCN(c1ccsc1)c1nc(=O)c2cccnc2s1
InChIInChI=1S/C12H9N3OS2/c1-15(8-4-6-17-7-8)12-14-10(16)9-3-2-5-13-11(9)18-12/h2-7H,1H3
InChIKeyHPUOFVZOQMVDHR-UHFFFAOYSA-N
XLogP2.88
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one?
The IUPAC name of 2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one (CID 23287621) is 2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one.
What is the SMILES notation for 2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one?
The canonical SMILES for 2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one is CN(c1ccsc1)c1nc(=O)c2cccnc2s1.
What is the InChIKey of 2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one?
The InChIKey is HPUOFVZOQMVDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS2/c1-15(8-4-6-17-7-8)12-14-10(16)9-3-2-5-13-11(9)18-12/h2-7H,1H3.
What are the key properties of 2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one?
2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one has a molecular weight of 275.36 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-3-yl)amino]pyrido[3,2-e][1,3]thiazin-4-one is sourced from PubChem (CID 23287621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).