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

C23H25N3O2S — CID 10092825

IUPAC(7aR)-1'-benzyl-6-(4-methylphenyl)spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione
SMILESCc1ccc(N2C(=O)[C@@H]3CSC4(CCN(Cc5ccccc5)CC4)N3C2=O)cc1
InChIInChI=1S/C23H25N3O2S/c1-17-7-9-19(10-8-17)25-21(27)20-16-29-23(26(20)22(25)28)11-13-24(14-12-23)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3/t20-/m0/s1
InChIKeyXKEVTXPRRRTMGS-FQEVSTJZSA-N
MW407.54 g/mol
LogP3.87
Rot. Bonds3

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

(7aR)-1'-benzyl-6-(4-methylphenyl)spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione (PubChem CID 10092825) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is (7aR)-1'-benzyl-6-(4-methylphenyl)spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione.

Molecular Properties

Compound Name(7aR)-1'-benzyl-6-(4-methylphenyl)spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione
PubChem CID10092825
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name(7aR)-1'-benzyl-6-(4-methylphenyl)spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione
SMILESCc1ccc(N2C(=O)[C@@H]3CSC4(CCN(Cc5ccccc5)CC4)N3C2=O)cc1
InChIInChI=1S/C23H25N3O2S/c1-17-7-9-19(10-8-17)25-21(27)20-16-29-23(26(20)22(25)28)11-13-24(14-12-23)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3/t20-/m0/s1
InChIKeyXKEVTXPRRRTMGS-FQEVSTJZSA-N
XLogP3.87
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.87
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-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione
CID 10000669
(7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione
CID 10453359
(5S)-1-benzyl-5-methyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 156703225
(3R)-3-(4-benzylpiperazin-1-yl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione
CID 30633686
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
(3R)-3-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1115575
1'-benzyl-5-methylspiro[indene-2,4'-piperidine]
CID 175775241
1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 164659301
(3S)-1-(4-chlorophenyl)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 9357851
(3S)-3-(4-benzylpiperazin-1-yl)-1-(2-bromo-4-methylphenyl)pyrrolidine-2,5-dione
CID 51621006
5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione
CID 144582870

Frequently Asked Questions

What is the IUPAC name of (7aR)-1'-benzyl-6-(4-methylphenyl)spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione?
The IUPAC name of (7aR)-1'-benzyl-6-(4-methylphenyl)spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione (CID 10092825) is (7aR)-1'-benzyl-6-(4-methylphenyl)spiro[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-(4-methylphenyl)spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione?
The canonical SMILES for (7aR)-1'-benzyl-6-(4-methylphenyl)spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione is Cc1ccc(N2C(=O)[C@@H]3CSC4(CCN(Cc5ccccc5)CC4)N3C2=O)cc1.
What is the InChIKey of (7aR)-1'-benzyl-6-(4-methylphenyl)spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione?
The InChIKey is XKEVTXPRRRTMGS-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-17-7-9-19(10-8-17)25-21(27)20-16-29-23(26(20)22(25)28)11-13-24(14-12-23)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3/t20-/m0/s1.
What are the key properties of (7aR)-1'-benzyl-6-(4-methylphenyl)spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione?
(7aR)-1'-benzyl-6-(4-methylphenyl)spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione has a molecular weight of 407.54 g/mol, XLogP of 3.87, 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-(4-methylphenyl)spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione is sourced from PubChem (CID 10092825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).