2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C15H15N3O5S — CID 42648097

IUPAC2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1c(C2CC(=O)Nc3nc(N)sc32)cc2c(c1OC)OCO2
InChIInChI=1S/C15H15N3O5S/c1-20-10-6(3-8-11(12(10)21-2)23-5-22-8)7-4-9(19)17-14-13(7)24-15(16)18-14/h3,7H,4-5H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyKTXOSSKIPILACW-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.95
Rot. Bonds3

About 2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 42648097) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID42648097
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1c(C2CC(=O)Nc3nc(N)sc32)cc2c(c1OC)OCO2
InChIInChI=1S/C15H15N3O5S/c1-20-10-6(3-8-11(12(10)21-2)23-5-22-8)7-4-9(19)17-14-13(7)24-15(16)18-14/h3,7H,4-5H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyKTXOSSKIPILACW-UHFFFAOYSA-N
XLogP1.95
TPSA104.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 42648097) is 2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is COc1c(C2CC(=O)Nc3nc(N)sc32)cc2c(c1OC)OCO2.
What is the InChIKey of 2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is KTXOSSKIPILACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-20-10-6(3-8-11(12(10)21-2)23-5-22-8)7-4-9(19)17-14-13(7)24-15(16)18-14/h3,7H,4-5H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 349.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 42648097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).