[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone

C26H32N4O3S — CID 22641060

About [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone

[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone (PubChem CID 22641060) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone.

Molecular Properties

• Compound Name: [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone
• PubChem CID: 22641060
• Molecular Formula: C26H32N4O3S
• Molecular Weight: 480.63 g/mol
• Exact Mass: 480.22
• IUPAC Name: [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone
• SMILES: CCCc1cc(C(=O)c2sc(Nc3ccc(OC4CCCN(CC)C4)cc3)nc2N)ccc1O
• InChI: InChI=1S/C26H32N4O3S/c1-3-6-17-15-18(8-13-22(17)31)23(32)24-25(27)29-26(34-24)28-19-9-11-20(12-10-19)33-21-7-5-14-30(4-2)16-21/h8-13,15,21,31H,3-7,14,16,27H2,1-2H3,(H,28,29)
• InChIKey: ALBOVCNCPSAUSI-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 100.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.63
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone?

The IUPAC name of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone (CID 22641060) is [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone.

What is the SMILES notation for [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone?

The canonical SMILES for [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone is CCCc1cc(C(=O)c2sc(Nc3ccc(OC4CCCN(CC)C4)cc3)nc2N)ccc1O.

What is the InChIKey of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone?

The InChIKey is ALBOVCNCPSAUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-3-6-17-15-18(8-13-22(17)31)23(32)24-25(27)29-26(34-24)28-19-9-11-20(12-10-19)33-21-7-5-14-30(4-2)16-21/h8-13,15,21,31H,3-7,14,16,27H2,1-2H3,(H,28,29).

What are the key properties of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone?

[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone has a molecular weight of 480.63 g/mol, XLogP of 5.22, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone is sourced from PubChem (CID 22641060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).