(4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine

C24H24N6S2 — CID 59166538

IUPAC(4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine
SMILESc1cc(-c2cnc([C@@H]3CSCN3)[nH]2)ccc1-c1ccc(-c2cnc([C@@H]3CSCN3)[nH]2)cc1
InChIInChI=1S/C24H24N6S2/c1-5-17(19-9-25-23(29-19)21-11-31-13-27-21)6-2-15(1)16-3-7-18(8-4-16)20-10-26-24(30-20)22-12-32-14-28-22/h1-10,21-22,27-28H,11-14H2,(H,25,29)(H,26,30)/t21-,22-/m0/s1
InChIKeySHLNLYDJRLGFFK-VXKWHMMOSA-N
MW460.63 g/mol
LogP4.80
Rot. Bonds5

About (4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine

(4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine (PubChem CID 59166538) has the molecular formula C24H24N6S2 and a molecular weight of 460.63 g/mol. Its IUPAC name is (4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine.

Molecular Properties

Compound Name(4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine
PubChem CID59166538
Molecular FormulaC24H24N6S2
Molecular Weight460.63 g/mol
Exact Mass460.15
IUPAC Name(4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine
SMILESc1cc(-c2cnc([C@@H]3CSCN3)[nH]2)ccc1-c1ccc(-c2cnc([C@@H]3CSCN3)[nH]2)cc1
InChIInChI=1S/C24H24N6S2/c1-5-17(19-9-25-23(29-19)21-11-31-13-27-21)6-2-15(1)16-3-7-18(8-4-16)20-10-26-24(30-20)22-12-32-14-28-22/h1-10,21-22,27-28H,11-14H2,(H,25,29)(H,26,30)/t21-,22-/m0/s1
InChIKeySHLNLYDJRLGFFK-VXKWHMMOSA-N
XLogP4.80
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.63
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine?
The IUPAC name of (4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine (CID 59166538) is (4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine.
What is the SMILES notation for (4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine?
The canonical SMILES for (4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine is c1cc(-c2cnc([C@@H]3CSCN3)[nH]2)ccc1-c1ccc(-c2cnc([C@@H]3CSCN3)[nH]2)cc1.
What is the InChIKey of (4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine?
The InChIKey is SHLNLYDJRLGFFK-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H24N6S2/c1-5-17(19-9-25-23(29-19)21-11-31-13-27-21)6-2-15(1)16-3-7-18(8-4-16)20-10-26-24(30-20)22-12-32-14-28-22/h1-10,21-22,27-28H,11-14H2,(H,25,29)(H,26,30)/t21-,22-/m0/s1.
What are the key properties of (4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine?
(4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine has a molecular weight of 460.63 g/mol, XLogP of 4.80, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[5-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine is sourced from PubChem (CID 59166538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).