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

C22H15ClN2O3S — CID 23473085

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

1-(3-chlorophenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23473085) has the molecular formula C22H15ClN2O3S and a molecular weight of 422.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 23473085
• Molecular Formula: C22H15ClN2O3S
• Molecular Weight: 422.89 g/mol
• Exact Mass: 422.05
• IUPAC Name: 1-(3-chlorophenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(Cl)c1)N(c1nccs1)C3=O
• InChI: InChI=1S/C22H15ClN2O3S/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: JUGLOVWQBUWBDO-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 63.41 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.89
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(3-chlorophenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23473085) is 1-(3-chlorophenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

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

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

The InChIKey is JUGLOVWQBUWBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3S/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 1-(3-chlorophenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-chlorophenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 422.89 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23473085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).