5'-chloro-3-[4-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

C26H16Cl3N3O2S2 — CID 50900838

About 5'-chloro-3-[4-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

5'-chloro-3-[4-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (PubChem CID 50900838) has the molecular formula C26H16Cl3N3O2S2 and a molecular weight of 572.93 g/mol. Its IUPAC name is 5'-chloro-3-[4-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

Molecular Properties

• Compound Name: 5'-chloro-3-[4-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
• PubChem CID: 50900838
• Molecular Formula: C26H16Cl3N3O2S2
• Molecular Weight: 572.93 g/mol
• Exact Mass: 570.97
• IUPAC Name: 5'-chloro-3-[4-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
• SMILES: O=C1CSC2(C(=O)Nc3ccc(Cl)cc32)N1c1ccc(-c2csc(Cc3ccc(Cl)c(Cl)c3)n2)cc1
• InChI: InChI=1S/C26H16Cl3N3O2S2/c27-16-4-8-21-18(11-16)26(25(34)31-21)32(24(33)13-36-26)17-5-2-15(3-6-17)22-12-35-23(30-22)10-14-1-7-19(28)20(29)9-14/h1-9,11-12H,10,13H2,(H,31,34)
• InChIKey: WBLHLAOOBLWIEF-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.93
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5'-chloro-3-[4-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?

The IUPAC name of 5'-chloro-3-[4-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (CID 50900838) is 5'-chloro-3-[4-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

What is the SMILES notation for 5'-chloro-3-[4-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?

The canonical SMILES for 5'-chloro-3-[4-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is O=C1CSC2(C(=O)Nc3ccc(Cl)cc32)N1c1ccc(-c2csc(Cc3ccc(Cl)c(Cl)c3)n2)cc1.

What is the InChIKey of 5'-chloro-3-[4-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?

The InChIKey is WBLHLAOOBLWIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl3N3O2S2/c27-16-4-8-21-18(11-16)26(25(34)31-21)32(24(33)13-36-26)17-5-2-15(3-6-17)22-12-35-23(30-22)10-14-1-7-19(28)20(29)9-14/h1-9,11-12H,10,13H2,(H,31,34).

What are the key properties of 5'-chloro-3-[4-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?

5'-chloro-3-[4-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione has a molecular weight of 572.93 g/mol, XLogP of 7.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-chloro-3-[4-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 50900838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).