5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C24H20N4O3S2 — CID 10838316

IUPAC5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Sc3ccccc3)nc21
InChIInChI=1S/C24H20N4O3S2/c1-28-20(25-18-11-12-21(26-22(18)28)32-17-5-3-2-4-6-17)14-31-16-9-7-15(8-10-16)13-19-23(29)27-24(30)33-19/h2-12,19H,13-14H2,1H3,(H,27,29,30)
InChIKeyYADFTYIZGLYJJX-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.59
Rot. Bonds7

About 5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10838316) has the molecular formula C24H20N4O3S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10838316
Molecular FormulaC24H20N4O3S2
Molecular Weight476.58 g/mol
Exact Mass476.10
IUPAC Name5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Sc3ccccc3)nc21
InChIInChI=1S/C24H20N4O3S2/c1-28-20(25-18-11-12-21(26-22(18)28)32-17-5-3-2-4-6-17)14-31-16-9-7-15(8-10-16)13-19-23(29)27-24(30)33-19/h2-12,19H,13-14H2,1H3,(H,27,29,30)
InChIKeyYADFTYIZGLYJJX-UHFFFAOYSA-N
XLogP4.59
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10838316) is 5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Sc3ccccc3)nc21.
What is the InChIKey of 5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is YADFTYIZGLYJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S2/c1-28-20(25-18-11-12-21(26-22(18)28)32-17-5-3-2-4-6-17)14-31-16-9-7-15(8-10-16)13-19-23(29)27-24(30)33-19/h2-12,19H,13-14H2,1H3,(H,27,29,30).
What are the key properties of 5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 476.58 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-methyl-5-phenylsulfanylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10838316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).