formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine

C22H23N3O5S — CID 66787476

IUPACformic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESCOC1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1.O=CO
InChIInChI=1S/C21H21N3O3S.CH2O2/c1-25-15-6-9-24(10-7-15)12-14-13-26-18-11-16(4-5-17(14)18)27-21-23-20-19(28-21)3-2-8-22-20;2-1-3/h2-5,8,11,13,15H,6-7,9-10,12H2,1H3;1H,(H,2,3)
InChIKeyFTCKDOFQIFMZOG-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.54
Rot. Bonds5

About formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine

formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 66787476) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Nameformic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID66787476
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Nameformic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
SMILESCOC1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1.O=CO
InChIInChI=1S/C21H21N3O3S.CH2O2/c1-25-15-6-9-24(10-7-15)12-14-13-26-18-11-16(4-5-17(14)18)27-21-23-20-19(28-21)3-2-8-22-20;2-1-3/h2-5,8,11,13,15H,6-7,9-10,12H2,1H3;1H,(H,2,3)
InChIKeyFTCKDOFQIFMZOG-UHFFFAOYSA-N
XLogP4.54
TPSA97.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine (CID 66787476) is formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine is COC1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1.O=CO.
What is the InChIKey of formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is FTCKDOFQIFMZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S.CH2O2/c1-25-15-6-9-24(10-7-15)12-14-13-26-18-11-16(4-5-17(14)18)27-21-23-20-19(28-21)3-2-8-22-20;2-1-3/h2-5,8,11,13,15H,6-7,9-10,12H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine?
formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 441.51 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 66787476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).