4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

C19H18N4O4S — CID 54512423

IUPAC4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCOc1ccc2nc(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)n(C)c2n1
InChIInChI=1S/C19H18N4O4S/c1-23-15(20-13-7-8-16(26-2)21-17(13)23)10-27-12-5-3-11(4-6-12)9-14-18(24)22-19(25)28-14/h3-8,24H,9-10H2,1-2H3,(H,22,25)
InChIKeyYKBLVGOOCOZBHX-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.60
Rot. Bonds6

About 4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 54512423) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
PubChem CID54512423
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCOc1ccc2nc(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)n(C)c2n1
InChIInChI=1S/C19H18N4O4S/c1-23-15(20-13-7-8-16(26-2)21-17(13)23)10-27-12-5-3-11(4-6-12)9-14-18(24)22-19(25)28-14/h3-8,24H,9-10H2,1-2H3,(H,22,25)
InChIKeyYKBLVGOOCOZBHX-UHFFFAOYSA-N
XLogP2.60
TPSA102.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one (CID 54512423) is 4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one is COc1ccc2nc(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)n(C)c2n1.
What is the InChIKey of 4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is YKBLVGOOCOZBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-23-15(20-13-7-8-16(26-2)21-17(13)23)10-27-12-5-3-11(4-6-12)9-14-18(24)22-19(25)28-14/h3-8,24H,9-10H2,1-2H3,(H,22,25).
What are the key properties of 4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 398.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[4-[(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 54512423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).