1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone

C28H26N4O2S — CID 3818216

About 1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone

1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 3818216) has the molecular formula C28H26N4O2S and a molecular weight of 482.61 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 3818216
• Molecular Formula: C28H26N4O2S
• Molecular Weight: 482.61 g/mol
• Exact Mass: 482.18
• IUPAC Name: 1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
• SMILES: Cc1ccc(C(=O)N2Cc3ccccc3C2)c(C2CCN(C(=O)c3ccc4ncsc4c3)CC2)n1
• InChI: InChI=1S/C28H26N4O2S/c1-18-6-8-23(28(34)32-15-21-4-2-3-5-22(21)16-32)26(30-18)19-10-12-31(13-11-19)27(33)20-7-9-24-25(14-20)35-17-29-24/h2-9,14,17,19H,10-13,15-16H2,1H3
• InChIKey: WYECZJMPPQNTAH-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 66.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.61
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?

The IUPAC name of 1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (CID 3818216) is 1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.

What is the SMILES notation for 1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?

The canonical SMILES for 1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2Cc3ccccc3C2)c(C2CCN(C(=O)c3ccc4ncsc4c3)CC2)n1.

What is the InChIKey of 1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?

The InChIKey is WYECZJMPPQNTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2S/c1-18-6-8-23(28(34)32-15-21-4-2-3-5-22(21)16-32)26(30-18)19-10-12-31(13-11-19)27(33)20-7-9-24-25(14-20)35-17-29-24/h2-9,14,17,19H,10-13,15-16H2,1H3.

What are the key properties of 1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?

1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 482.61 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 3818216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).