(7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione

C22H23N3O2S — CID 10000669

IUPAC(7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione
SMILESO=C1[C@@H]2CSC3(CCN(Cc4ccccc4)CC3)N2C(=O)N1c1ccccc1
InChIInChI=1S/C22H23N3O2S/c26-20-19-16-28-22(25(19)21(27)24(20)18-9-5-2-6-10-18)11-13-23(14-12-22)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2/t19-/m0/s1
InChIKeyOHTQHVFRQYHXNA-IBGZPJMESA-N
MW393.51 g/mol
LogP3.56
Rot. Bonds3

About (7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione

(7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione (PubChem CID 10000669) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is (7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione.

Molecular Properties

Compound Name(7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione
PubChem CID10000669
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name(7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione
SMILESO=C1[C@@H]2CSC3(CCN(Cc4ccccc4)CC3)N2C(=O)N1c1ccccc1
InChIInChI=1S/C22H23N3O2S/c26-20-19-16-28-22(25(19)21(27)24(20)18-9-5-2-6-10-18)11-13-23(14-12-22)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2/t19-/m0/s1
InChIKeyOHTQHVFRQYHXNA-IBGZPJMESA-N
XLogP3.56
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(7aR)-1'-benzyl-6-(4-methylphenyl)spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione
CID 10092825
(7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione
CID 10453359
(7aR)-6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione
CID 67924913
(3R)-3-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1115575
3-(4-benzylpiperazin-1-yl)-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 3109148
1-benzyl-4-isocyano-4-phenylpiperidine
CID 20812471
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(1S,2R,8R,11R,12S,13S)-5-benzyl-16-phenyl-5,14,16,18-tetrazaheptacyclo[9.7.0.02,8.02,9.08,13.010,12.014,18]octadecane-15,17-dione
CID 98556681
7,9a-dibenzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione
CID 155902723
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 1080528
2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione
CID 10163990
1-benzyl-4-(benzylsulfonylmethyl)piperidine
CID 18919882

Frequently Asked Questions

What is the IUPAC name of (7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione?
The IUPAC name of (7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione (CID 10000669) is (7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione.
What is the SMILES notation for (7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione?
The canonical SMILES for (7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione is O=C1[C@@H]2CSC3(CCN(Cc4ccccc4)CC3)N2C(=O)N1c1ccccc1.
What is the InChIKey of (7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione?
The InChIKey is OHTQHVFRQYHXNA-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O2S/c26-20-19-16-28-22(25(19)21(27)24(20)18-9-5-2-6-10-18)11-13-23(14-12-22)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2/t19-/m0/s1.
What are the key properties of (7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione?
(7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione has a molecular weight of 393.51 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-1'-benzyl-6-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione is sourced from PubChem (CID 10000669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).