2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C17H24N4O3S — CID 5309478

IUPAC2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)NCCCN3CCOCC3)sc2n1
InChIInChI=1S/C17H24N4O3S/c1-12-10-13(2)19-16-15(12)17(23)21(25-16)11-14(22)18-4-3-5-20-6-8-24-9-7-20/h10H,3-9,11H2,1-2H3,(H,18,22)
InChIKeyZCVBVCFIGVDCHA-UHFFFAOYSA-N
MW364.47 g/mol
LogP0.91
Rot. Bonds6

About 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 5309478) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID5309478
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)NCCCN3CCOCC3)sc2n1
InChIInChI=1S/C17H24N4O3S/c1-12-10-13(2)19-16-15(12)17(23)21(25-16)11-14(22)18-4-3-5-20-6-8-24-9-7-20/h10H,3-9,11H2,1-2H3,(H,18,22)
InChIKeyZCVBVCFIGVDCHA-UHFFFAOYSA-N
XLogP0.91
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 5309478) is 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide is Cc1cc(C)c2c(=O)n(CC(=O)NCCCN3CCOCC3)sc2n1.
What is the InChIKey of 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is ZCVBVCFIGVDCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-12-10-13(2)19-16-15(12)17(23)21(25-16)11-14(22)18-4-3-5-20-6-8-24-9-7-20/h10H,3-9,11H2,1-2H3,(H,18,22).
What are the key properties of 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 364.47 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 5309478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).