1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one

C93H78FN13O6S4 — CID 161344176

IUPAC1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
SMILESC.Cc1ccc(C2=NNC3(S2)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc23)cc1.Cc1ccc(CN2C(=O)C3(NN=C(c4ccccc4)S3)c3ccccc32)cc1.Cc1ccc2c(c1)C1(NN=C(c3ccccc3)S1)C(=O)N2CCc1ccccc1.O=C1N(Cc2ccccc2F)c2ccccc2C12NN=C(c1ccccc1)S2
InChIInChI=1S/C24H21N3OS.C23H18N4O3S.C23H19N3OS.C22H16FN3OS.CH4/c1-17-12-13-21-20(16-17)24(26-25-22(29-24)19-10-6-3-7-11-19)23(28)27(21)15-14-18-8-4-2-5-9-18;1-15-6-10-17(11-7-15)21-24-25-23(31-21)19-4-2-3-5-20(19)26(22(23)28)14-16-8-12-18(13-9-16)27(29)30;1-16-11-13-17(14-12-16)15-26-20-10-6-5-9-19(20)23(22(26)27)25-24-21(28-23)18-7-3-2-4-8-18;23-18-12-6-4-10-16(18)14-26-19-13-7-5-11-17(19)22(21(26)27)25-24-20(28-22)15-8-2-1-3-9-15;/h2-13,16,26H,14-15H2,1H3;2-13,25H,14H2,1H3;2-14,25H,15H2,1H3;1-13,25H,14H2;1H4
InChIKeyVNBPQEGUBKRMOI-UHFFFAOYSA-N
MW1621.00 g/mol
LogP17.99
Rot. Bonds14

About 1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one

1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one (PubChem CID 161344176) has the molecular formula C93H78FN13O6S4 and a molecular weight of 1621.00 g/mol. Its IUPAC name is 1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
PubChem CID161344176
Molecular FormulaC93H78FN13O6S4
Molecular Weight1621.00 g/mol
Exact Mass1619.51
IUPAC Name1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
SMILESC.Cc1ccc(C2=NNC3(S2)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc23)cc1.Cc1ccc(CN2C(=O)C3(NN=C(c4ccccc4)S3)c3ccccc32)cc1.Cc1ccc2c(c1)C1(NN=C(c3ccccc3)S1)C(=O)N2CCc1ccccc1.O=C1N(Cc2ccccc2F)c2ccccc2C12NN=C(c1ccccc1)S2
InChIInChI=1S/C24H21N3OS.C23H18N4O3S.C23H19N3OS.C22H16FN3OS.CH4/c1-17-12-13-21-20(16-17)24(26-25-22(29-24)19-10-6-3-7-11-19)23(28)27(21)15-14-18-8-4-2-5-9-18;1-15-6-10-17(11-7-15)21-24-25-23(31-21)19-4-2-3-5-20(19)26(22(23)28)14-16-8-12-18(13-9-16)27(29)30;1-16-11-13-17(14-12-16)15-26-20-10-6-5-9-19(20)23(22(26)27)25-24-21(28-23)18-7-3-2-4-8-18;23-18-12-6-4-10-16(18)14-26-19-13-7-5-11-17(19)22(21(26)27)25-24-20(28-22)15-8-2-1-3-9-15;/h2-13,16,26H,14-15H2,1H3;2-13,25H,14H2,1H3;2-14,25H,15H2,1H3;1-13,25H,14H2;1H4
InChIKeyVNBPQEGUBKRMOI-UHFFFAOYSA-N
XLogP17.99
TPSA221.94 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001621.00
LogP ≤ 517.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_B(2)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one with MolForge

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Related Compounds

1'-[(4-chlorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;1'-[(4-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
CID 159652797
1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
CID 90322900
1'-[(3-chlorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
CID 71291276
1'-butyl-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
CID 4917811
(2S)-1'-methyl-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
CID 823854
5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 10664801
5'-methyl-1'-(2-phenylethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
CID 24820885
3-(2,5-dimethylanilino)-1-[(2-fluorophenyl)methyl]-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585320
(2S)-3-(2-fluorobenzoyl)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181091
3-benzylsulfanyl-1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572890
CID 132544016
CID 132544016
5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 71915407

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one (CID 161344176) is 1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one is C.Cc1ccc(C2=NNC3(S2)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc23)cc1.Cc1ccc(CN2C(=O)C3(NN=C(c4ccccc4)S3)c3ccccc32)cc1.Cc1ccc2c(c1)C1(NN=C(c3ccccc3)S1)C(=O)N2CCc1ccccc1.O=C1N(Cc2ccccc2F)c2ccccc2C12NN=C(c1ccccc1)S2.
What is the InChIKey of 1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one?
The InChIKey is VNBPQEGUBKRMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS.C23H18N4O3S.C23H19N3OS.C22H16FN3OS.CH4/c1-17-12-13-21-20(16-17)24(26-25-22(29-24)19-10-6-3-7-11-19)23(28)27(21)15-14-18-8-4-2-5-9-18;1-15-6-10-17(11-7-15)21-24-25-23(31-21)19-4-2-3-5-20(19)26(22(23)28)14-16-8-12-18(13-9-16)27(29)30;1-16-11-13-17(14-12-16)15-26-20-10-6-5-9-19(20)23(22(26)27)25-24-21(28-23)18-7-3-2-4-8-18;23-18-12-6-4-10-16(18)14-26-19-13-7-5-11-17(19)22(21(26)27)25-24-20(28-22)15-8-2-1-3-9-15;/h2-13,16,26H,14-15H2,1H3;2-13,25H,14H2,1H3;2-14,25H,15H2,1H3;1-13,25H,14H2;1H4.
What are the key properties of 1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one?
1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one has a molecular weight of 1621.00 g/mol, XLogP of 17.99, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-fluorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;methane;1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5-(4-methylphenyl)-1'-[(4-nitrophenyl)methyl]spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one;5'-methyl-5-phenyl-1'-(2-phenylethyl)spiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one is sourced from PubChem (CID 161344176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).