N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide

C18H17FN4O3S2 — CID 22584991

About N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide

N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide (PubChem CID 22584991) has the molecular formula C18H17FN4O3S2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide.

Molecular Properties

• Compound Name: N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
• PubChem CID: 22584991
• Molecular Formula: C18H17FN4O3S2
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.07
• IUPAC Name: N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
• SMILES: COc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1cccc(F)c1
• InChI: InChI=1S/C18H17FN4O3S2/c1-11-22-23-18(28-11)27-10-14-7-15(16(25-2)8-20-14)26-9-17(24)21-13-5-3-4-12(19)6-13/h3-8H,9-10H2,1-2H3,(H,21,24)
• InChIKey: YOUNUEBBJQSXHF-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?

The IUPAC name of N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide (CID 22584991) is N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide.

What is the SMILES notation for N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?

The canonical SMILES for N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide is COc1cnc(CSc2nnc(C)s2)cc1OCC(=O)Nc1cccc(F)c1.

What is the InChIKey of N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?

The InChIKey is YOUNUEBBJQSXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S2/c1-11-22-23-18(28-11)27-10-14-7-15(16(25-2)8-20-14)26-9-17(24)21-13-5-3-4-12(19)6-13/h3-8H,9-10H2,1-2H3,(H,21,24).

What are the key properties of N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?

N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide has a molecular weight of 420.49 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide is sourced from PubChem (CID 22584991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).