N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide

C18H16N6O3S — CID 167874535

About N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 167874535) has the molecular formula C18H16N6O3S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
• PubChem CID: 167874535
• Molecular Formula: C18H16N6O3S
• Molecular Weight: 396.43 g/mol
• Exact Mass: 396.10
• IUPAC Name: N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
• SMILES: O=C(CSc1n[nH]c(=O)[nH]1)Nc1cccc(OCc2cn3ccccc3n2)c1
• InChI: InChI=1S/C18H16N6O3S/c25-16(11-28-18-21-17(26)22-23-18)20-12-4-3-5-14(8-12)27-10-13-9-24-7-2-1-6-15(24)19-13/h1-9H,10-11H2,(H,20,25)(H2,21,22,23,26)
• InChIKey: HIUQOYSXOPCMKA-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 117.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.43
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 167874535) is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1n[nH]c(=O)[nH]1)Nc1cccc(OCc2cn3ccccc3n2)c1.

What is the InChIKey of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The InChIKey is HIUQOYSXOPCMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S/c25-16(11-28-18-21-17(26)22-23-18)20-12-4-3-5-14(8-12)27-10-13-9-24-7-2-1-6-15(24)19-13/h1-9H,10-11H2,(H,20,25)(H2,21,22,23,26).

What are the key properties of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide?

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 396.43 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 167874535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).