2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C23H24N2O2S — CID 1175912

About 2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 1175912) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
• PubChem CID: 1175912
• Molecular Formula: C23H24N2O2S
• Molecular Weight: 392.52 g/mol
• Exact Mass: 392.16
• IUPAC Name: 2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
• SMILES: Cc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)c3ccccc3C)n2)cc1
• InChI: InChI=1S/C23H24N2O2S/c1-16-9-11-18(12-10-16)21-15-28-23(24-21)25(14-19-7-5-13-27-19)22(26)20-8-4-3-6-17(20)2/h3-4,6,8-12,15,19H,5,7,13-14H2,1-2H3/t19-/m1/s1
• InChIKey: VDVCEAYEHRUEEL-LJQANCHMSA-N
• XLogP: 5.25
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.52
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

The IUPAC name of 2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 1175912) is 2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

What is the SMILES notation for 2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

The canonical SMILES for 2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is Cc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)c3ccccc3C)n2)cc1.

What is the InChIKey of 2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

The InChIKey is VDVCEAYEHRUEEL-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-16-9-11-18(12-10-16)21-15-28-23(24-21)25(14-19-7-5-13-27-19)22(26)20-8-4-3-6-17(20)2/h3-4,6,8-12,15,19H,5,7,13-14H2,1-2H3/t19-/m1/s1.

What are the key properties of 2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 392.52 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 1175912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).