(7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione

C17H13ClN2O2S — CID 5294494

IUPAC(7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESO=C1[C@@H]2CSC(c3ccc(Cl)cc3)N2C(=O)N1c1ccccc1
InChIInChI=1S/C17H13ClN2O2S/c18-12-8-6-11(7-9-12)16-20-14(10-23-16)15(21)19(17(20)22)13-4-2-1-3-5-13/h1-9,14,16H,10H2/t14-,16?/m0/s1
InChIKeyGQWSETSRDBZCEZ-LBAUFKAWSA-N
MW344.82 g/mol
LogP3.92
Rot. Bonds2

About (7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione

(7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 5294494) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is (7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name(7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID5294494
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name(7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESO=C1[C@@H]2CSC(c3ccc(Cl)cc3)N2C(=O)N1c1ccccc1
InChIInChI=1S/C17H13ClN2O2S/c18-12-8-6-11(7-9-12)16-20-14(10-23-16)15(21)19(17(20)22)13-4-2-1-3-5-13/h1-9,14,16H,10H2/t14-,16?/m0/s1
InChIKeyGQWSETSRDBZCEZ-LBAUFKAWSA-N
XLogP3.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,7AR)-6-(4-chlorobenzyl)-1,7a-dihydro-5H-spiro[imidazo[1,5-c]thiazole-3,3'-indoline]-2',5,7(6H)-trione
CID 49852112
1-Benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 73012381
2-(4-chlorophenyl)-3-phenylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3239489
(7aR)-3-(4-chlorophenyl)-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 5294599
(5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 97046899
6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione
CID 73349028
(7aR)-6-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione
CID 5294584
(7aR)-6-(4-chlorophenyl)-3-(4-fluorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 5294582
(7aR)-3-(4-fluorophenyl)-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 5294585
(7aR)-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione
CID 5294598
2-(3-chlorophenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5308786
(3R,7aR)-6-[(4-chlorophenyl)methyl]-1'-methylspiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-indole]-2',5,7-trione
CID 49850684

Frequently Asked Questions

What is the IUPAC name of (7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of (7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (CID 5294494) is (7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.
What is the SMILES notation for (7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for (7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is O=C1[C@@H]2CSC(c3ccc(Cl)cc3)N2C(=O)N1c1ccccc1.
What is the InChIKey of (7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is GQWSETSRDBZCEZ-LBAUFKAWSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c18-12-8-6-11(7-9-12)16-20-14(10-23-16)15(21)19(17(20)22)13-4-2-1-3-5-13/h1-9,14,16H,10H2/t14-,16?/m0/s1.
What are the key properties of (7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
(7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 344.82 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3-(4-chlorophenyl)-6-phenyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 5294494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).