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

C19H18N4O3S — CID 10571956

IUPAC5-[[4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc2cccnc21
InChIInChI=1S/C19H18N4O3S/c1-23-16(21-14-3-2-9-20-17(14)23)8-10-26-13-6-4-12(5-7-13)11-15-18(24)22-19(25)27-15/h2-7,9,15H,8,10-11H2,1H3,(H,22,24,25)
InChIKeyUMPQVFXUVKKTHO-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.48
Rot. Bonds6

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

5-[[4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10571956) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 5-[[4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10571956
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name5-[[4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc2cccnc21
InChIInChI=1S/C19H18N4O3S/c1-23-16(21-14-3-2-9-20-17(14)23)8-10-26-13-6-4-12(5-7-13)11-15-18(24)22-19(25)27-15/h2-7,9,15H,8,10-11H2,1H3,(H,22,24,25)
InChIKeyUMPQVFXUVKKTHO-UHFFFAOYSA-N
XLogP2.48
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10571956) is 5-[[4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cn1c(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc2cccnc21.
What is the InChIKey of 5-[[4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is UMPQVFXUVKKTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-23-16(21-14-3-2-9-20-17(14)23)8-10-26-13-6-4-12(5-7-13)11-15-18(24)22-19(25)27-15/h2-7,9,15H,8,10-11H2,1H3,(H,22,24,25).
What are the key properties of 5-[[4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 382.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10571956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).