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

C13H17N3O2S — CID 53148496

IUPAC2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1Sc2ncccc2N(C)C1=O
InChIInChI=1S/C13H17N3O2S/c1-8(2)15-11(17)7-10-13(18)16(3)9-5-4-6-14-12(9)19-10/h4-6,8,10H,7H2,1-3H3,(H,15,17)
InChIKeyGKDOQUSTHLKOGY-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.43
Rot. Bonds3

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

2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-propan-2-ylacetamide (PubChem CID 53148496) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-propan-2-ylacetamide
PubChem CID53148496
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1Sc2ncccc2N(C)C1=O
InChIInChI=1S/C13H17N3O2S/c1-8(2)15-11(17)7-10-13(18)16(3)9-5-4-6-14-12(9)19-10/h4-6,8,10H,7H2,1-3H3,(H,15,17)
InChIKeyGKDOQUSTHLKOGY-UHFFFAOYSA-N
XLogP1.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-propan-2-ylacetamide (CID 53148496) is 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CC1Sc2ncccc2N(C)C1=O.
What is the InChIKey of 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-propan-2-ylacetamide?
The InChIKey is GKDOQUSTHLKOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8(2)15-11(17)7-10-13(18)16(3)9-5-4-6-14-12(9)19-10/h4-6,8,10H,7H2,1-3H3,(H,15,17).
What are the key properties of 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-propan-2-ylacetamide?
2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-propan-2-ylacetamide has a molecular weight of 279.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 53148496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).