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

C22H21FN2O2S — CID 10453359

IUPAC(7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione
SMILESO=C1[C@@H]2CSC3(CCC(c4ccccc4)CC3)N2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O2S/c23-17-6-8-18(9-7-17)24-20(26)19-14-28-22(25(19)21(24)27)12-10-16(11-13-22)15-4-2-1-3-5-15/h1-9,16,19H,10-14H2/t16?,19-,22?/m0/s1
InChIKeyDWSQXHUCMOAFIG-UEUGHCDMSA-N
MW396.49 g/mol
LogP4.76
Rot. Bonds2

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

(7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione (PubChem CID 10453359) has the molecular formula C22H21FN2O2S and a molecular weight of 396.49 g/mol. Its IUPAC name is (7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione.

Molecular Properties

Compound Name(7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione
PubChem CID10453359
Molecular FormulaC22H21FN2O2S
Molecular Weight396.49 g/mol
Exact Mass396.13
IUPAC Name(7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione
SMILESO=C1[C@@H]2CSC3(CCC(c4ccccc4)CC3)N2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O2S/c23-17-6-8-18(9-7-17)24-20(26)19-14-28-22(25(19)21(24)27)12-10-16(11-13-22)15-4-2-1-3-5-15/h1-9,16,19H,10-14H2/t16?,19-,22?/m0/s1
InChIKeyDWSQXHUCMOAFIG-UEUGHCDMSA-N
XLogP4.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-1-(4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358155
(7aR)-1'-benzyl-6-(4-methylphenyl)spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,4'-piperidine]-5,7-dione
CID 10092825
(3aR,5R,7aR)-2-(4-fluorophenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 92539798
(3R,7aR)-3,6-bis(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 7333548
(3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 7357540
(10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 7632350
(3aR,4R,7S,7aS)-2-(4-fluorophenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7238002
(2R,6R,7R,9S,13S,14R)-4,11-bis(4-fluorophenyl)-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 11946844
(2S,6S,7S,9R,13R,14R)-4,11-bis(4-fluorophenyl)-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 11946842
(7aR)-3,6-diphenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 59885924
(3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358060
(3R,7aS)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 6559091

Frequently Asked Questions

What is the IUPAC name of (7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione?
The IUPAC name of (7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione (CID 10453359) is (7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione.
What is the SMILES notation for (7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione?
The canonical SMILES for (7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione is O=C1[C@@H]2CSC3(CCC(c4ccccc4)CC3)N2C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione?
The InChIKey is DWSQXHUCMOAFIG-UEUGHCDMSA-N. The full InChI is InChI=1S/C22H21FN2O2S/c23-17-6-8-18(9-7-17)24-20(26)19-14-28-22(25(19)21(24)27)12-10-16(11-13-22)15-4-2-1-3-5-15/h1-9,16,19H,10-14H2/t16?,19-,22?/m0/s1.
What are the key properties of (7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione?
(7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione has a molecular weight of 396.49 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-6-(4-fluorophenyl)-4'-phenylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,1'-cyclohexane]-5,7-dione is sourced from PubChem (CID 10453359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).