(1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H12Cl2N2O3S — CID 2002212

About (1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2002212) has the molecular formula C21H12Cl2N2O3S and a molecular weight of 443.31 g/mol. Its IUPAC name is (1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 2002212
• Molecular Formula: C21H12Cl2N2O3S
• Molecular Weight: 443.31 g/mol
• Exact Mass: 441.99
• IUPAC Name: (1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(c1nccs1)C3=O
• InChI: InChI=1S/C21H12Cl2N2O3S/c1-10-2-5-15-12(8-10)18(26)16-17(11-3-4-13(22)14(23)9-11)25(20(27)19(16)28-15)21-24-6-7-29-21/h2-9,17H,1H3/t17-/m1/s1
• InChIKey: QWMRZTMWVPPNHB-QGZVFWFLSA-N
• XLogP: 5.61
• TPSA: 63.41 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.31
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of (1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2002212) is (1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for (1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for (1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(c1nccs1)C3=O.

What is the InChIKey of (1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is QWMRZTMWVPPNHB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H12Cl2N2O3S/c1-10-2-5-15-12(8-10)18(26)16-17(11-3-4-13(22)14(23)9-11)25(20(27)19(16)28-15)21-24-6-7-29-21/h2-9,17H,1H3/t17-/m1/s1.

What are the key properties of (1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

(1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 443.31 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-(3,4-dichlorophenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2002212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).