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

C14H15N3O3S — CID 16764667

IUPAC2-amino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc(C2CC(=O)Nc3nc(N)sc32)cc1OC
InChIInChI=1S/C14H15N3O3S/c1-19-9-4-3-7(5-10(9)20-2)8-6-11(18)16-13-12(8)21-14(15)17-13/h3-5,8H,6H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyUWWAEENHWBMAAA-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.22
Rot. Bonds3

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

2-amino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 16764667) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-amino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID16764667
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-amino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc(C2CC(=O)Nc3nc(N)sc32)cc1OC
InChIInChI=1S/C14H15N3O3S/c1-19-9-4-3-7(5-10(9)20-2)8-6-11(18)16-13-12(8)21-14(15)17-13/h3-5,8H,6H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyUWWAEENHWBMAAA-UHFFFAOYSA-N
XLogP2.22
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-amino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 16764667) is 2-amino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-amino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-amino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is COc1ccc(C2CC(=O)Nc3nc(N)sc32)cc1OC.
What is the InChIKey of 2-amino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is UWWAEENHWBMAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-19-9-4-3-7(5-10(9)20-2)8-6-11(18)16-13-12(8)21-14(15)17-13/h3-5,8H,6H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
2-amino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 305.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 16764667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).