[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C23H28N4O3S — CID 110119616

About [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 110119616) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 110119616
• Molecular Formula: C23H28N4O3S
• Molecular Weight: 440.57 g/mol
• Exact Mass: 440.19
• IUPAC Name: [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• SMILES: CCNc1nc(C)c(C(=O)N2CCCC(c3ncc(Cc4ccccc4OC)o3)C2)s1
• InChI: InChI=1S/C23H28N4O3S/c1-4-24-23-26-15(2)20(31-23)22(28)27-11-7-9-17(14-27)21-25-13-18(30-21)12-16-8-5-6-10-19(16)29-3/h5-6,8,10,13,17H,4,7,9,11-12,14H2,1-3H3,(H,24,26)
• InChIKey: YFLYHRJTOMLJHS-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 80.49 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	440.57
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 110119616) is [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is CCNc1nc(C)c(C(=O)N2CCCC(c3ncc(Cc4ccccc4OC)o3)C2)s1.

What is the InChIKey of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is YFLYHRJTOMLJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-4-24-23-26-15(2)20(31-23)22(28)27-11-7-9-17(14-27)21-25-13-18(30-21)12-16-8-5-6-10-19(16)29-3/h5-6,8,10,13,17H,4,7,9,11-12,14H2,1-3H3,(H,24,26).

What are the key properties of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 440.57 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110119616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).