N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C29H28N4O3S — CID 3482109

About N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 3482109) has the molecular formula C29H28N4O3S and a molecular weight of 512.64 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 3482109
• Molecular Formula: C29H28N4O3S
• Molecular Weight: 512.64 g/mol
• Exact Mass: 512.19
• IUPAC Name: N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
• SMILES: COc1cc(C(=O)N2CCC(c3nc(C(=O)NC4Cc5ccccc5C4)cs3)CC2)nc2ccccc12
• InChI: InChI=1S/C29H28N4O3S/c1-36-26-16-24(31-23-9-5-4-8-22(23)26)29(35)33-12-10-18(11-13-33)28-32-25(17-37-28)27(34)30-21-14-19-6-2-3-7-20(19)15-21/h2-9,16-18,21H,10-15H2,1H3,(H,30,34)
• InChIKey: MJGXKMNEWBPMEC-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.64
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 3482109) is N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is COc1cc(C(=O)N2CCC(c3nc(C(=O)NC4Cc5ccccc5C4)cs3)CC2)nc2ccccc12.

What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is MJGXKMNEWBPMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3S/c1-36-26-16-24(31-23-9-5-4-8-22(23)26)29(35)33-12-10-18(11-13-33)28-32-25(17-37-28)27(34)30-21-14-19-6-2-3-7-20(19)15-21/h2-9,16-18,21H,10-15H2,1H3,(H,30,34).

What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 512.64 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(4-methoxyquinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3482109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).