2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H14ClFN2O4S — CID 4708609

About 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4708609) has the molecular formula C23H14ClFN2O4S and a molecular weight of 468.89 g/mol. Its IUPAC name is 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4708609
• Molecular Formula: C23H14ClFN2O4S
• Molecular Weight: 468.89 g/mol
• Exact Mass: 468.03
• IUPAC Name: 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CC(=O)c1sc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccccc2F)nc1C
• InChI: InChI=1S/C23H14ClFN2O4S/c1-10-21(11(2)28)32-23(26-10)27-18(13-5-3-4-6-15(13)25)17-19(29)14-9-12(24)7-8-16(14)31-20(17)22(27)30/h3-9,18H,1-2H3
• InChIKey: PRVCAVLNQLGDMK-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 80.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.89
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4708609) is 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(=O)c1sc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccccc2F)nc1C.

What is the InChIKey of 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is PRVCAVLNQLGDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN2O4S/c1-10-21(11(2)28)32-23(26-10)27-18(13-5-3-4-6-15(13)25)17-19(29)14-9-12(24)7-8-16(14)31-20(17)22(27)30/h3-9,18H,1-2H3.

What are the key properties of 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 468.89 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4708609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).