3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione

C22H22N2O5S — CID 46948899

IUPAC3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
SMILESCOc1cc(C2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc(OC)c1OC
InChIInChI=1S/C22H22N2O5S/c1-23-21-20(30-22(23)26)15(12-18(25)24(21)14-8-6-5-7-9-14)13-10-16(27-2)19(29-4)17(11-13)28-3/h5-11,15H,12H2,1-4H3
InChIKeyGAGDOJAIZIQFAF-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.67
Rot. Bonds5

About 3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione

3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione (PubChem CID 46948899) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is 3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
PubChem CID46948899
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
SMILESCOc1cc(C2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc(OC)c1OC
InChIInChI=1S/C22H22N2O5S/c1-23-21-20(30-22(23)26)15(12-18(25)24(21)14-8-6-5-7-9-14)13-10-16(27-2)19(29-4)17(11-13)28-3/h5-11,15H,12H2,1-4H3
InChIKeyGAGDOJAIZIQFAF-UHFFFAOYSA-N
XLogP3.67
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
The IUPAC name of 3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione (CID 46948899) is 3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione.
What is the SMILES notation for 3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
The canonical SMILES for 3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione is COc1cc(C2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc(OC)c1OC.
What is the InChIKey of 3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
The InChIKey is GAGDOJAIZIQFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-23-21-20(30-22(23)26)15(12-18(25)24(21)14-8-6-5-7-9-14)13-10-16(27-2)19(29-4)17(11-13)28-3/h5-11,15H,12H2,1-4H3.
What are the key properties of 3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione?
3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione has a molecular weight of 426.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione is sourced from PubChem (CID 46948899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).