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

C12H15N3O3S — CID 5307559

IUPACN-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCOCCNC(=O)CN1C(=O)CSc2ncccc21
InChIInChI=1S/C12H15N3O3S/c1-18-6-5-13-10(16)7-15-9-3-2-4-14-12(9)19-8-11(15)17/h2-4H,5-8H2,1H3,(H,13,16)
InChIKeyODDDWCXQWYZGMZ-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.28
Rot. Bonds5

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

N-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (PubChem CID 5307559) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
PubChem CID5307559
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCOCCNC(=O)CN1C(=O)CSc2ncccc21
InChIInChI=1S/C12H15N3O3S/c1-18-6-5-13-10(16)7-15-9-3-2-4-14-12(9)19-8-11(15)17/h2-4H,5-8H2,1H3,(H,13,16)
InChIKeyODDDWCXQWYZGMZ-UHFFFAOYSA-N
XLogP0.28
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-Morpholinyl)-2-oxoethyl 2-pyridinyl sulfide
CID 592408
1H-pyrido(2,3-b)(1,4)thiazin-2(3H)-one
CID 29110
N-(4-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2339953
ethyl 4-{[4-(2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-yl)butanoyl]amino}piperidine-1-carboxylate
CID 3245176
N-(3-Methoxypropyl)-2-{2-oxo-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-1-YL}acetamide
CID 5307337
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide
CID 5308257
N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 5308434
N-(3-Chlorophenyl)-2-{2-oxo-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-1-YL}acetamide
CID 20889981
Methyl 2-{[2-(2-pyridylthio)acetyl]amino}acetate
CID 2729282
4-(2-Pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one
CID 8813148
N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 20889991
2H-Pyrido(4,3-b)(1,4)thiazin-3(4H)-one
CID 373078

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (CID 5307559) is N-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is COCCNC(=O)CN1C(=O)CSc2ncccc21.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The InChIKey is ODDDWCXQWYZGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-18-6-5-13-10(16)7-15-9-3-2-4-14-12(9)19-8-11(15)17/h2-4H,5-8H2,1H3,(H,13,16).
What are the key properties of N-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
N-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide has a molecular weight of 281.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is sourced from PubChem (CID 5307559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).