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

C13H17N3O3S — CID 5307337

IUPACN-(3-methoxypropyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCOCCCNC(=O)CN1C(=O)CSc2ncccc21
InChIInChI=1S/C13H17N3O3S/c1-19-7-3-6-14-11(17)8-16-10-4-2-5-15-13(10)20-9-12(16)18/h2,4-5H,3,6-9H2,1H3,(H,14,17)
InChIKeyCVUBEFASVMCIJQ-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.67
Rot. Bonds6

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

N-(3-methoxypropyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (PubChem CID 5307337) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
PubChem CID5307337
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(3-methoxypropyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCOCCCNC(=O)CN1C(=O)CSc2ncccc21
InChIInChI=1S/C13H17N3O3S/c1-19-7-3-6-14-11(17)8-16-10-4-2-5-15-13(10)20-9-12(16)18/h2,4-5H,3,6-9H2,1H3,(H,14,17)
InChIKeyCVUBEFASVMCIJQ-UHFFFAOYSA-N
XLogP0.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.67
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (CID 5307337) is N-(3-methoxypropyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is COCCCNC(=O)CN1C(=O)CSc2ncccc21.
What is the InChIKey of N-(3-methoxypropyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The InChIKey is CVUBEFASVMCIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-19-7-3-6-14-11(17)8-16-10-4-2-5-15-13(10)20-9-12(16)18/h2,4-5H,3,6-9H2,1H3,(H,14,17).
What are the key properties of N-(3-methoxypropyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
N-(3-methoxypropyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide has a molecular weight of 295.36 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is sourced from PubChem (CID 5307337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).