3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

C24H19N5O2S — CID 55510038

IUPAC3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc2nc(COc3cccc(C(=O)Nc4nnc(-c5ccccc5)s4)c3)cn2c1
InChIInChI=1S/C24H19N5O2S/c1-16-10-11-21-25-19(14-29(21)13-16)15-31-20-9-5-8-18(12-20)22(30)26-24-28-27-23(32-24)17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,26,28,30)
InChIKeyHCEUMJLLMODYPX-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.99
Rot. Bonds6

About 3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 55510038) has the molecular formula C24H19N5O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is 3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID55510038
Molecular FormulaC24H19N5O2S
Molecular Weight441.52 g/mol
Exact Mass441.13
IUPAC Name3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc2nc(COc3cccc(C(=O)Nc4nnc(-c5ccccc5)s4)c3)cn2c1
InChIInChI=1S/C24H19N5O2S/c1-16-10-11-21-25-19(14-29(21)13-16)15-31-20-9-5-8-18(12-20)22(30)26-24-28-27-23(32-24)17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,26,28,30)
InChIKeyHCEUMJLLMODYPX-UHFFFAOYSA-N
XLogP4.99
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 55510038) is 3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1ccc2nc(COc3cccc(C(=O)Nc4nnc(-c5ccccc5)s4)c3)cn2c1.
What is the InChIKey of 3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HCEUMJLLMODYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S/c1-16-10-11-21-25-19(14-29(21)13-16)15-31-20-9-5-8-18(12-20)22(30)26-24-28-27-23(32-24)17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,26,28,30).
What are the key properties of 3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 441.52 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 55510038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).