N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

C10H11N3O2S — CID 5308434

IUPACN-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCNC(=O)CN1C(=O)CSc2ncccc21
InChIInChI=1S/C10H11N3O2S/c1-11-8(14)5-13-7-3-2-4-12-10(7)16-6-9(13)15/h2-4H,5-6H2,1H3,(H,11,14)
InChIKeyJCQPLQJVANABTJ-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.27
Rot. Bonds2

About N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (PubChem CID 5308434) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
PubChem CID5308434
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC NameN-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCNC(=O)CN1C(=O)CSc2ncccc21
InChIInChI=1S/C10H11N3O2S/c1-11-8(14)5-13-7-3-2-4-12-10(7)16-6-9(13)15/h2-4H,5-6H2,1H3,(H,11,14)
InChIKeyJCQPLQJVANABTJ-UHFFFAOYSA-N
XLogP0.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The IUPAC name of N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (CID 5308434) is N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is CNC(=O)CN1C(=O)CSc2ncccc21.
What is the InChIKey of N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The InChIKey is JCQPLQJVANABTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-11-8(14)5-13-7-3-2-4-12-10(7)16-6-9(13)15/h2-4H,5-6H2,1H3,(H,11,14).
What are the key properties of N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide has a molecular weight of 237.28 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is sourced from PubChem (CID 5308434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).