6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione

C19H14ClN3O3S — CID 73349028

IUPAC6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione
SMILESO=C1C2CSC3(C(=O)Nc4ccccc43)N2C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O3S/c20-12-7-5-11(6-8-12)9-22-16(24)15-10-27-19(23(15)18(22)26)13-3-1-2-4-14(13)21-17(19)25/h1-8,15H,9-10H2,(H,21,25)
InChIKeyPOVQHLNFAUGINO-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.02
Rot. Bonds2

About 6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione

6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione (PubChem CID 73349028) has the molecular formula C19H14ClN3O3S and a molecular weight of 399.86 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione
PubChem CID73349028
Molecular FormulaC19H14ClN3O3S
Molecular Weight399.86 g/mol
Exact Mass399.04
IUPAC Name6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione
SMILESO=C1C2CSC3(C(=O)Nc4ccccc43)N2C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O3S/c20-12-7-5-11(6-8-12)9-22-16(24)15-10-27-19(23(15)18(22)26)13-3-1-2-4-14(13)21-17(19)25/h1-8,15H,9-10H2,(H,21,25)
InChIKeyPOVQHLNFAUGINO-UHFFFAOYSA-N
XLogP3.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione?
The IUPAC name of 6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione (CID 73349028) is 6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione is O=C1C2CSC3(C(=O)Nc4ccccc43)N2C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione?
The InChIKey is POVQHLNFAUGINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S/c20-12-7-5-11(6-8-12)9-22-16(24)15-10-27-19(23(15)18(22)26)13-3-1-2-4-14(13)21-17(19)25/h1-8,15H,9-10H2,(H,21,25).
What are the key properties of 6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione?
6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione has a molecular weight of 399.86 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]spiro[1,7a-dihydroimidazo[1,5-c][1,3]thiazole-3,3'-1H-indole]-2',5,7-trione is sourced from PubChem (CID 73349028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).