5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C19H15F3N4O3S — CID 10670561

IUPAC5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C19H15F3N4O3S/c1-26-15(24-13-7-11(19(20,21)22)8-23-16(13)26)9-29-12-4-2-10(3-5-12)6-14-17(27)25-18(28)30-14/h2-5,7-8,14H,6,9H2,1H3,(H,25,27,28)
InChIKeySZSHNOMOOAGRAI-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.46
Rot. Bonds5

About 5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10670561) has the molecular formula C19H15F3N4O3S and a molecular weight of 436.42 g/mol. Its IUPAC name is 5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10670561
Molecular FormulaC19H15F3N4O3S
Molecular Weight436.42 g/mol
Exact Mass436.08
IUPAC Name5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C19H15F3N4O3S/c1-26-15(24-13-7-11(19(20,21)22)8-23-16(13)26)9-29-12-4-2-10(3-5-12)6-14-17(27)25-18(28)30-14/h2-5,7-8,14H,6,9H2,1H3,(H,25,27,28)
InChIKeySZSHNOMOOAGRAI-UHFFFAOYSA-N
XLogP3.46
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.46
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-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10670561) is 5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[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-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2cc(C(F)(F)F)cnc21.
What is the InChIKey of 5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is SZSHNOMOOAGRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3S/c1-26-15(24-13-7-11(19(20,21)22)8-23-16(13)26)9-29-12-4-2-10(3-5-12)6-14-17(27)25-18(28)30-14/h2-5,7-8,14H,6,9H2,1H3,(H,25,27,28).
What are the key properties of 5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 436.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10670561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).