7-ethyl-1-(3-fluorophenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H15FN2O3S — CID 23473083

About 7-ethyl-1-(3-fluorophenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-ethyl-1-(3-fluorophenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23473083) has the molecular formula C22H15FN2O3S and a molecular weight of 406.44 g/mol. Its IUPAC name is 7-ethyl-1-(3-fluorophenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-ethyl-1-(3-fluorophenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 23473083
• Molecular Formula: C22H15FN2O3S
• Molecular Weight: 406.44 g/mol
• Exact Mass: 406.08
• IUPAC Name: 7-ethyl-1-(3-fluorophenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(F)c1)N(c1nccs1)C3=O
• InChI: InChI=1S/C22H15FN2O3S/c1-2-12-6-7-16-15(10-12)19(26)17-18(13-4-3-5-14(23)11-13)25(21(27)20(17)28-16)22-24-8-9-29-22/h3-11,18H,2H2,1H3
• InChIKey: HHRWDMVIJJZAMZ-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 63.41 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.44
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-ethyl-1-(3-fluorophenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23473083) is 7-ethyl-1-(3-fluorophenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-ethyl-1-(3-fluorophenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(F)c1)N(c1nccs1)C3=O.

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

The InChIKey is HHRWDMVIJJZAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O3S/c1-2-12-6-7-16-15(10-12)19(26)17-18(13-4-3-5-14(23)11-13)25(21(27)20(17)28-16)22-24-8-9-29-22/h3-11,18H,2H2,1H3.

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

7-ethyl-1-(3-fluorophenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 406.44 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethyl-1-(3-fluorophenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23473083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).