[4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone

C22H25N5O3S — CID 127251658

About [4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone

[4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 127251658) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is [4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: [4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
• PubChem CID: 127251658
• Molecular Formula: C22H25N5O3S
• Molecular Weight: 439.54 g/mol
• Exact Mass: 439.17
• IUPAC Name: [4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
• SMILES: CCOCc1ccc(C(=O)N2CCOC(c3cc(Nc4nncs4)cc(C)n3)C2)cc1
• InChI: InChI=1S/C22H25N5O3S/c1-3-29-13-16-4-6-17(7-5-16)21(28)27-8-9-30-20(12-27)19-11-18(10-15(2)24-19)25-22-26-23-14-31-22/h4-7,10-11,14,20H,3,8-9,12-13H2,1-2H3,(H,24,25,26)
• InChIKey: GSQRLYRQQHUPNS-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.54
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?

The IUPAC name of [4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone (CID 127251658) is [4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone.

What is the SMILES notation for [4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?

The canonical SMILES for [4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone is CCOCc1ccc(C(=O)N2CCOC(c3cc(Nc4nncs4)cc(C)n3)C2)cc1.

What is the InChIKey of [4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?

The InChIKey is GSQRLYRQQHUPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-3-29-13-16-4-6-17(7-5-16)21(28)27-8-9-30-20(12-27)19-11-18(10-15(2)24-19)25-22-26-23-14-31-22/h4-7,10-11,14,20H,3,8-9,12-13H2,1-2H3,(H,24,25,26).

What are the key properties of [4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?

[4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 439.54 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 127251658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).