5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole

C18H21N3OS2 — CID 42357603

About 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole

5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 42357603) has the molecular formula C18H21N3OS2 and a molecular weight of 359.52 g/mol. Its IUPAC name is 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
• PubChem CID: 42357603
• Molecular Formula: C18H21N3OS2
• Molecular Weight: 359.52 g/mol
• Exact Mass: 359.11
• IUPAC Name: 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
• SMILES: Cc1ccc(-c2nc(CN3CCCC[C@@H]3c3nccs3)c(C)o2)s1
• InChI: InChI=1S/C18H21N3OS2/c1-12-6-7-16(24-12)17-20-14(13(2)22-17)11-21-9-4-3-5-15(21)18-19-8-10-23-18/h6-8,10,15H,3-5,9,11H2,1-2H3/t15-/m1/s1
• InChIKey: IDIQMKZBPLTXHC-OAHLLOKOSA-N
• XLogP: 5.20
• TPSA: 42.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	359.52
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?

The IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole (CID 42357603) is 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole.

What is the SMILES notation for 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?

The canonical SMILES for 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole is Cc1ccc(-c2nc(CN3CCCC[C@@H]3c3nccs3)c(C)o2)s1.

What is the InChIKey of 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?

The InChIKey is IDIQMKZBPLTXHC-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3OS2/c1-12-6-7-16(24-12)17-20-14(13(2)22-17)11-21-9-4-3-5-15(21)18-19-8-10-23-18/h6-8,10,15H,3-5,9,11H2,1-2H3/t15-/m1/s1.

What are the key properties of 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole?

5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 359.52 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 42357603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).