7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C27H24N4O4S — CID 18868771

About 7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868771) has the molecular formula C27H24N4O4S and a molecular weight of 500.58 g/mol. Its IUPAC name is 7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18868771
• Molecular Formula: C27H24N4O4S
• Molecular Weight: 500.58 g/mol
• Exact Mass: 500.15
• IUPAC Name: 7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: CCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(C)cc3c1=O)C(=O)N2c1nnc(C(C)C)s1
• InChI: InChI=1S/C27H24N4O4S/c1-5-12-30-18-9-7-6-8-17(18)27(25(30)34)20-21(32)16-13-15(4)10-11-19(16)35-22(20)24(33)31(27)26-29-28-23(36-26)14(2)3/h6-11,13-14H,5,12H2,1-4H3
• InChIKey: CMWHUCHKGIEGJF-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 96.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.58
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The IUPAC name of 7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868771) is 7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

What is the SMILES notation for 7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The canonical SMILES for 7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(C)cc3c1=O)C(=O)N2c1nnc(C(C)C)s1.

What is the InChIKey of 7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The InChIKey is CMWHUCHKGIEGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4S/c1-5-12-30-18-9-7-6-8-17(18)27(25(30)34)20-21(32)16-13-15(4)10-11-19(16)35-22(20)24(33)31(27)26-29-28-23(36-26)14(2)3/h6-11,13-14H,5,12H2,1-4H3.

What are the key properties of 7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 500.58 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).