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

C20H11F2N3O3S — CID 4893648

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

7-fluoro-1-(3-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4893648) has the molecular formula C20H11F2N3O3S and a molecular weight of 411.39 g/mol. Its IUPAC name is 7-fluoro-1-(3-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-fluoro-1-(3-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4893648
• Molecular Formula: C20H11F2N3O3S
• Molecular Weight: 411.39 g/mol
• Exact Mass: 411.05
• IUPAC Name: 7-fluoro-1-(3-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cccc(F)c2)s1
• InChI: InChI=1S/C20H11F2N3O3S/c1-9-23-24-20(29-9)25-16(10-3-2-4-11(21)7-10)15-17(26)13-8-12(22)5-6-14(13)28-18(15)19(25)27/h2-8,16H,1H3
• InChIKey: UYKIMNHOPHRPFC-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 76.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.39
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-fluoro-1-(3-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4893648) is 7-fluoro-1-(3-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-fluoro-1-(3-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cccc(F)c2)s1.

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

The InChIKey is UYKIMNHOPHRPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F2N3O3S/c1-9-23-24-20(29-9)25-16(10-3-2-4-11(21)7-10)15-17(26)13-8-12(22)5-6-14(13)28-18(15)19(25)27/h2-8,16H,1H3.

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

7-fluoro-1-(3-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 411.39 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-1-(3-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4893648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).