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

C13H13N3O3S — CID 16764638

IUPAC2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1cc(C2CC(=O)Nc3nc(N)sc32)ccc1O
InChIInChI=1S/C13H13N3O3S/c1-19-9-4-6(2-3-8(9)17)7-5-10(18)15-12-11(7)20-13(14)16-12/h2-4,7,17H,5H2,1H3,(H2,14,16)(H,15,18)
InChIKeyFOODYWGHAQSHNJ-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.91
Rot. Bonds2

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

2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 16764638) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID16764638
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1cc(C2CC(=O)Nc3nc(N)sc32)ccc1O
InChIInChI=1S/C13H13N3O3S/c1-19-9-4-6(2-3-8(9)17)7-5-10(18)15-12-11(7)20-13(14)16-12/h2-4,7,17H,5H2,1H3,(H2,14,16)(H,15,18)
InChIKeyFOODYWGHAQSHNJ-UHFFFAOYSA-N
XLogP1.91
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26342138
(7S)-2-amino-7-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39338297
(7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39334445
(7R)-2-amino-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42587081
2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]selenazolo[4,5-b]pyridin-5-one
CID 42647681
(7S)-2-amino-7-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42587835
(7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39340520
2-amino-7-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42654149
(7S)-2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42591026
(7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42556453
(7R)-2-amino-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42591025
2-anilino-7-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42647648

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 16764638) is 2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is COc1cc(C2CC(=O)Nc3nc(N)sc32)ccc1O.
What is the InChIKey of 2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is FOODYWGHAQSHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-19-9-4-6(2-3-8(9)17)7-5-10(18)15-12-11(7)20-13(14)16-12/h2-4,7,17H,5H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 291.33 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 16764638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).