2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate

C11H13N3O3S — CID 134181230

IUPAC2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate
SMILESCC(=O)OCCOc1cc(C)c2nc(N)sc2n1
InChIInChI=1S/C11H13N3O3S/c1-6-5-8(17-4-3-16-7(2)15)13-10-9(6)14-11(12)18-10/h5H,3-4H2,1-2H3,(H2,12,14)
InChIKeyISUGPBWNXUOTDN-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.52
Rot. Bonds4

About 2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate

2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate (PubChem CID 134181230) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate.

Molecular Properties

Compound Name2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate
PubChem CID134181230
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate
SMILESCC(=O)OCCOc1cc(C)c2nc(N)sc2n1
InChIInChI=1S/C11H13N3O3S/c1-6-5-8(17-4-3-16-7(2)15)13-10-9(6)14-11(12)18-10/h5H,3-4H2,1-2H3,(H2,12,14)
InChIKeyISUGPBWNXUOTDN-UHFFFAOYSA-N
XLogP1.52
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.52
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-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate?
The IUPAC name of 2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate (CID 134181230) is 2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate.
What is the SMILES notation for 2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate?
The canonical SMILES for 2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate is CC(=O)OCCOc1cc(C)c2nc(N)sc2n1.
What is the InChIKey of 2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate?
The InChIKey is ISUGPBWNXUOTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-6-5-8(17-4-3-16-7(2)15)13-10-9(6)14-11(12)18-10/h5H,3-4H2,1-2H3,(H2,12,14).
What are the key properties of 2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate?
2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate has a molecular weight of 267.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate is sourced from PubChem (CID 134181230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).