3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide

C24H22N4O2S — CID 67053788

About 3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide

3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide (PubChem CID 67053788) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide.

Molecular Properties

• Compound Name: 3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide
• PubChem CID: 67053788
• Molecular Formula: C24H22N4O2S
• Molecular Weight: 430.53 g/mol
• Exact Mass: 430.15
• IUPAC Name: 3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide
• SMILES: Cc1ccc(-c2cc(Oc3nccs3)cc(C(=O)NC(C)c3cnc(C)nc3)c2)cc1
• InChI: InChI=1S/C24H22N4O2S/c1-15-4-6-18(7-5-15)19-10-20(12-22(11-19)30-24-25-8-9-31-24)23(29)28-16(2)21-13-26-17(3)27-14-21/h4-14,16H,1-3H3,(H,28,29)
• InChIKey: BQVSOMIYFULBKX-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.53
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide?

The IUPAC name of 3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide (CID 67053788) is 3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide.

What is the SMILES notation for 3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide?

The canonical SMILES for 3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide is Cc1ccc(-c2cc(Oc3nccs3)cc(C(=O)NC(C)c3cnc(C)nc3)c2)cc1.

What is the InChIKey of 3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide?

The InChIKey is BQVSOMIYFULBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-15-4-6-18(7-5-15)19-10-20(12-22(11-19)30-24-25-8-9-31-24)23(29)28-16(2)21-13-26-17(3)27-14-21/h4-14,16H,1-3H3,(H,28,29).

What are the key properties of 3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide?

3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide has a molecular weight of 430.53 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide is sourced from PubChem (CID 67053788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).