7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C13H11N3O3S — CID 54696642

IUPAC7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc(Nc2nc3[nH]c(=O)cc(O)c3s2)cc1
InChIInChI=1S/C13H11N3O3S/c1-19-8-4-2-7(3-5-8)14-13-16-12-11(20-13)9(17)6-10(18)15-12/h2-6H,1H3,(H3,14,15,16,17,18)
InChIKeyXTEYHQOCUFPHQB-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.44
Rot. Bonds3

About 7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 54696642) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID54696642
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc(Nc2nc3[nH]c(=O)cc(O)c3s2)cc1
InChIInChI=1S/C13H11N3O3S/c1-19-8-4-2-7(3-5-8)14-13-16-12-11(20-13)9(17)6-10(18)15-12/h2-6H,1H3,(H3,14,15,16,17,18)
InChIKeyXTEYHQOCUFPHQB-UHFFFAOYSA-N
XLogP2.44
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(4-methoxyphenyl)-2-(methylthio)-5-thiazolecarboxamide
CID 325656
1-(4-Methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 741732
N-(3,4-Dimethoxy-phenyl)-2-(7-hydroxy-5-oxo-4,5-dihydro-thiazolo[4,5-b]pyridin-2-ylsulfanyl)-acetamide
CID 54691558
1-[4-Methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol
CID 66561560
5-ethyl-N-(4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 70689835
2-(Cyclopropanecarbonyl-amino)-4-methyl-thiazole-5-carboxylic acid (4-methoxy-phenyl)-amide
CID 857269
Ethanone, 1-[2-[(4-methoxyphenyl)amino]-4-methyl-5-thiazolyl]-
CID 746628
1-(4-Methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 771042
1-(4-Methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 44423266
N-(2,4-Dimethoxy-phenyl)-2-(7-hydroxy-5-oxo-4,5-dihydro-thiazolo[4,5-b]pyridin-2-ylsulfanyl)-acetamide
CID 54691565
N-(2,5-Dimethoxy-phenyl)-2-(7-hydroxy-5-oxo-4,5-dihydro-thiazolo[4,5-b]pyridin-2-ylsulfanyl)-acetamide
CID 54693346
1-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 35281698

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 54696642) is 7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is COc1ccc(Nc2nc3[nH]c(=O)cc(O)c3s2)cc1.
What is the InChIKey of 7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is XTEYHQOCUFPHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-19-8-4-2-7(3-5-8)14-13-16-12-11(20-13)9(17)6-10(18)15-12/h2-6H,1H3,(H3,14,15,16,17,18).
What are the key properties of 7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 289.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(4-methoxyanilino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 54696642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).