4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

C27H27N3O3S — CID 108803161

About 4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 108803161) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is 4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 108803161
• Molecular Formula: C27H27N3O3S
• Molecular Weight: 473.60 g/mol
• Exact Mass: 473.18
• IUPAC Name: 4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
• SMILES: Cc1ccc2oc(-c3ccc(C(=O)Nc4ncc(CN5CCCCC5C)s4)cc3)cc(=O)c2c1
• InChI: InChI=1S/C27H27N3O3S/c1-17-6-11-24-22(13-17)23(31)14-25(33-24)19-7-9-20(10-8-19)26(32)29-27-28-15-21(34-27)16-30-12-4-3-5-18(30)2/h6-11,13-15,18H,3-5,12,16H2,1-2H3,(H,28,29,32)
• InChIKey: LAKHLWKDUJNMQY-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.60
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (CID 108803161) is 4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is Cc1ccc2oc(-c3ccc(C(=O)Nc4ncc(CN5CCCCC5C)s4)cc3)cc(=O)c2c1.

What is the InChIKey of 4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is LAKHLWKDUJNMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-17-6-11-24-22(13-17)23(31)14-25(33-24)19-7-9-20(10-8-19)26(32)29-27-28-15-21(34-27)16-30-12-4-3-5-18(30)2/h6-11,13-15,18H,3-5,12,16H2,1-2H3,(H,28,29,32).

What are the key properties of 4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 473.60 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 108803161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).