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

C21H16N4O3S — CID 19134004

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

2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19134004) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 19134004
• Molecular Formula: C21H16N4O3S
• Molecular Weight: 404.45 g/mol
• Exact Mass: 404.09
• IUPAC Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccn2)s1
• InChI: InChI=1S/C21H16N4O3S/c1-3-15-23-24-21(29-15)25-17(13-6-4-5-9-22-13)16-18(26)12-10-11(2)7-8-14(12)28-19(16)20(25)27/h4-10,17H,3H2,1-2H3
• InChIKey: LXAAQAMLFSDXSG-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 89.19 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.45
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19134004) is 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccn2)s1.

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

The InChIKey is LXAAQAMLFSDXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S/c1-3-15-23-24-21(29-15)25-17(13-6-4-5-9-22-13)16-18(26)12-10-11(2)7-8-14(12)28-19(16)20(25)27/h4-10,17H,3H2,1-2H3.

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

2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 404.45 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19134004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).