2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide

C23H26N2O2S — CID 4306708

About 2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide

2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 4306708) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 4306708
• Molecular Formula: C23H26N2O2S
• Molecular Weight: 394.54 g/mol
• Exact Mass: 394.17
• IUPAC Name: 2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
• SMILES: CC(C)Oc1ccccc1C(=O)Nc1ncc(Cc2ccc(C(C)C)cc2)s1
• InChI: InChI=1S/C23H26N2O2S/c1-15(2)18-11-9-17(10-12-18)13-19-14-24-23(28-19)25-22(26)20-7-5-6-8-21(20)27-16(3)4/h5-12,14-16H,13H2,1-4H3,(H,24,25,26)
• InChIKey: WXDNYWZUUQRQAQ-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.54
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 4306708) is 2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is CC(C)Oc1ccccc1C(=O)Nc1ncc(Cc2ccc(C(C)C)cc2)s1.

What is the InChIKey of 2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is WXDNYWZUUQRQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-15(2)18-11-9-17(10-12-18)13-19-14-24-23(28-19)25-22(26)20-7-5-6-8-21(20)27-16(3)4/h5-12,14-16H,13H2,1-4H3,(H,24,25,26).

What are the key properties of 2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?

2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 394.54 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4306708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).