3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one

C23H26N4O3S — CID 155984918

About 3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one

3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one (PubChem CID 155984918) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
• PubChem CID: 155984918
• Molecular Formula: C23H26N4O3S
• Molecular Weight: 438.55 g/mol
• Exact Mass: 438.17
• IUPAC Name: 3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
• SMILES: COc1ccc(CCC(=O)N2CCOC(c3cccc(Nc4ncc(C)s4)n3)C2)cc1
• InChI: InChI=1S/C23H26N4O3S/c1-16-14-24-23(31-16)26-21-5-3-4-19(25-21)20-15-27(12-13-30-20)22(28)11-8-17-6-9-18(29-2)10-7-17/h3-7,9-10,14,20H,8,11-13,15H2,1-2H3,(H,24,25,26)
• InChIKey: GDYRQMCQWQJWMI-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.55
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one?

The IUPAC name of 3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one (CID 155984918) is 3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one.

What is the SMILES notation for 3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one?

The canonical SMILES for 3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one is COc1ccc(CCC(=O)N2CCOC(c3cccc(Nc4ncc(C)s4)n3)C2)cc1.

What is the InChIKey of 3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one?

The InChIKey is GDYRQMCQWQJWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-16-14-24-23(31-16)26-21-5-3-4-19(25-21)20-15-27(12-13-30-20)22(28)11-8-17-6-9-18(29-2)10-7-17/h3-7,9-10,14,20H,8,11-13,15H2,1-2H3,(H,24,25,26).

What are the key properties of 3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one?

3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one has a molecular weight of 438.55 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 155984918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).