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

C13H17N3O2S — CID 6619971

IUPAC2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-5-14-10(17)7-16-13(18)11-8(2)6-9(3)15-12(11)19-16/h6H,4-5,7H2,1-3H3,(H,14,17)
InChIKeyZLWJTNSVKPAZBC-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.60
Rot. Bonds4

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

2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-propylacetamide (PubChem CID 6619971) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-propylacetamide
PubChem CID6619971
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-5-14-10(17)7-16-13(18)11-8(2)6-9(3)15-12(11)19-16/h6H,4-5,7H2,1-3H3,(H,14,17)
InChIKeyZLWJTNSVKPAZBC-UHFFFAOYSA-N
XLogP1.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-propylacetamide?
The IUPAC name of 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-propylacetamide (CID 6619971) is 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-propylacetamide?
The canonical SMILES for 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-propylacetamide is CCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O.
What is the InChIKey of 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-propylacetamide?
The InChIKey is ZLWJTNSVKPAZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-5-14-10(17)7-16-13(18)11-8(2)6-9(3)15-12(11)19-16/h6H,4-5,7H2,1-3H3,(H,14,17).
What are the key properties of 2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-propylacetamide?
2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-propylacetamide has a molecular weight of 279.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-propylacetamide is sourced from PubChem (CID 6619971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).