(1R)-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H19N3O3S — CID 40962686

About (1R)-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40962686) has the molecular formula C26H19N3O3S and a molecular weight of 453.52 g/mol. Its IUPAC name is (1R)-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1R)-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 40962686
• Molecular Formula: C26H19N3O3S
• Molecular Weight: 453.52 g/mol
• Exact Mass: 453.11
• IUPAC Name: (1R)-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CC(C)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccccn3)sc2c1
• InChI: InChI=1S/C26H19N3O3S/c1-14(2)15-10-11-17-20(13-15)33-26(28-17)29-22(18-8-5-6-12-27-18)21-23(30)16-7-3-4-9-19(16)32-24(21)25(29)31/h3-14,22H,1-2H3/t22-/m0/s1
• InChIKey: VCOWWZCOSIQFRK-QFIPXVFZSA-N
• XLogP: 5.67
• TPSA: 76.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of (1R)-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40962686) is (1R)-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for (1R)-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for (1R)-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccccn3)sc2c1.

What is the InChIKey of (1R)-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is VCOWWZCOSIQFRK-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H19N3O3S/c1-14(2)15-10-11-17-20(13-15)33-26(28-17)29-22(18-8-5-6-12-27-18)21-23(30)16-7-3-4-9-19(16)32-24(21)25(29)31/h3-14,22H,1-2H3/t22-/m0/s1.

What are the key properties of (1R)-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

(1R)-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 453.52 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40962686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).