(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine

C26H26N4S2 — CID 58490872

About (4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine

(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine (PubChem CID 58490872) has the molecular formula C26H26N4S2 and a molecular weight of 458.66 g/mol. Its IUPAC name is (4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine.

Molecular Properties

• Compound Name: (4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine
• PubChem CID: 58490872
• Molecular Formula: C26H26N4S2
• Molecular Weight: 458.66 g/mol
• Exact Mass: 458.16
• IUPAC Name: (4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine
• SMILES: C1=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5CSCN5)C4)cc3)cc2)CC([C@@H]2CSCN2)=N1
• InChI: InChI=1S/C26H26N4S2/c1-5-19(21-9-23(27-11-21)25-13-31-15-29-25)6-2-17(1)18-3-7-20(8-4-18)22-10-24(28-12-22)26-14-32-16-30-26/h1-8,11-12,25-26,29-30H,9-10,13-16H2/t25-,26-/m0/s1
• InChIKey: ZBZDXBDBHFWUTF-UIOOFZCWSA-N
• XLogP: 5.05
• TPSA: 48.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.66
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine?

The IUPAC name of (4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine (CID 58490872) is (4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine.

What is the SMILES notation for (4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine?

The canonical SMILES for (4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine is C1=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5CSCN5)C4)cc3)cc2)CC([C@@H]2CSCN2)=N1.

What is the InChIKey of (4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine?

The InChIKey is ZBZDXBDBHFWUTF-UIOOFZCWSA-N. The full InChI is InChI=1S/C26H26N4S2/c1-5-19(21-9-23(27-11-21)25-13-31-15-29-25)6-2-17(1)18-3-7-20(8-4-18)22-10-24(28-12-22)26-14-32-16-30-26/h1-8,11-12,25-26,29-30H,9-10,13-16H2/t25-,26-/m0/s1.

What are the key properties of (4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine?

(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine has a molecular weight of 458.66 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine is sourced from PubChem (CID 58490872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).