(6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione

C23H20ClN3O3S2 — CID 71455908

IUPAC(6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione
SMILESCN(C)c1ccc([C@H]2c3sc(=O)[nH]c3SC[C@]23CC(=O)N(c2ccc(Cl)cc2)C3=O)cc1
InChIInChI=1S/C23H20ClN3O3S2/c1-26(2)15-7-3-13(4-8-15)18-19-20(25-22(30)32-19)31-12-23(18)11-17(28)27(21(23)29)16-9-5-14(24)6-10-16/h3-10,18H,11-12H2,1-2H3,(H,25,30)/t18-,23+/m0/s1
InChIKeyVGLJLFYNVPNPJN-FDDCHVKYSA-N
MW486.02 g/mol
LogP4.34
Rot. Bonds3

About (6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione

(6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione (PubChem CID 71455908) has the molecular formula C23H20ClN3O3S2 and a molecular weight of 486.02 g/mol. Its IUPAC name is (6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione.

Molecular Properties

Compound Name(6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione
PubChem CID71455908
Molecular FormulaC23H20ClN3O3S2
Molecular Weight486.02 g/mol
Exact Mass485.06
IUPAC Name(6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione
SMILESCN(C)c1ccc([C@H]2c3sc(=O)[nH]c3SC[C@]23CC(=O)N(c2ccc(Cl)cc2)C3=O)cc1
InChIInChI=1S/C23H20ClN3O3S2/c1-26(2)15-7-3-13(4-8-15)18-19-20(25-22(30)32-19)31-12-23(18)11-17(28)27(21(23)29)16-9-5-14(24)6-10-16/h3-10,18H,11-12H2,1-2H3,(H,25,30)/t18-,23+/m0/s1
InChIKeyVGLJLFYNVPNPJN-FDDCHVKYSA-N
XLogP4.34
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.02
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_E(8)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione?
The IUPAC name of (6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione (CID 71455908) is (6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione.
What is the SMILES notation for (6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione?
The canonical SMILES for (6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione is CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3SC[C@]23CC(=O)N(c2ccc(Cl)cc2)C3=O)cc1.
What is the InChIKey of (6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione?
The InChIKey is VGLJLFYNVPNPJN-FDDCHVKYSA-N. The full InChI is InChI=1S/C23H20ClN3O3S2/c1-26(2)15-7-3-13(4-8-15)18-19-20(25-22(30)32-19)31-12-23(18)11-17(28)27(21(23)29)16-9-5-14(24)6-10-16/h3-10,18H,11-12H2,1-2H3,(H,25,30)/t18-,23+/m0/s1.
What are the key properties of (6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione?
(6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione has a molecular weight of 486.02 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-1'-(4-chlorophenyl)-7-[4-(dimethylamino)phenyl]spiro[5,7-dihydro-3H-thiopyrano[2,3-d][1,3]thiazole-6,3'-pyrrolidine]-2,2',5'-trione is sourced from PubChem (CID 71455908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).