(1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H16N2O4S — CID 2032187

About (1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2032187) has the molecular formula C25H16N2O4S and a molecular weight of 440.48 g/mol. Its IUPAC name is (1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 2032187
• Molecular Formula: C25H16N2O4S
• Molecular Weight: 440.48 g/mol
• Exact Mass: 440.08
• IUPAC Name: (1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccc(O)cc3)sc2c1
• InChI: InChI=1S/C25H16N2O4S/c1-13-6-11-17-19(12-13)32-25(26-17)27-21(14-7-9-15(28)10-8-14)20-22(29)16-4-2-3-5-18(16)31-23(20)24(27)30/h2-12,21,28H,1H3/t21-/m1/s1
• InChIKey: OSBDJMGWIOWAJN-OAQYLSRUSA-N
• XLogP: 5.17
• TPSA: 83.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.48
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of (1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2032187) is (1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for (1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for (1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccc(O)cc3)sc2c1.

What is the InChIKey of (1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is OSBDJMGWIOWAJN-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H16N2O4S/c1-13-6-11-17-19(12-13)32-25(26-17)27-21(14-7-9-15(28)10-8-14)20-22(29)16-4-2-3-5-18(16)31-23(20)24(27)30/h2-12,21,28H,1H3/t21-/m1/s1.

What are the key properties of (1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

(1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 440.48 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-(4-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2032187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).