About N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-3-phenyl-1H-indole-2-carboxamide
N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-3-phenyl-1H-indole-2-carboxamide (PubChem CID 3025820) has the molecular formula C25H19ClN4O2S
and a molecular weight of 474.97 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-3-phenyl-1H-indole-2-carboxamide.
Molecular Properties
| Compound Name | N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-3-phenyl-1H-indole-2-carboxamide |
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| PubChem CID | 3025820 |
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| Molecular Formula | C25H19ClN4O2S |
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| Molecular Weight | 474.97 g/mol |
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| Exact Mass | 474.09 |
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| IUPAC Name | N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-3-phenyl-1H-indole-2-carboxamide |
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| SMILES | Cc1ccc2[nH]c(C(=O)NN3C(=O)CS/C3=N\c3ccc(Cl)cc3)c(-c3ccccc3)c2c1 |
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| InChI | InChI=1S/C25H19ClN4O2S/c1-15-7-12-20-19(13-15)22(16-5-3-2-4-6-16)23(28-20)24(32)29-30-21(31)14-33-25(30)27-18-10-8-17(26)9-11-18/h2-13,28H,14H2,1H3,(H,29,32)/b27-25- |
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| InChIKey | AEWUMTMRXCZQMA-RFBIWTDZSA-N |
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| XLogP | 5.70 |
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| TPSA | 77.56 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 474.97 |
| LogP ≤ 5 | 5.70 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-3-phenyl-1H-indole-2-carboxamide (CID 3025820) is N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-3-phenyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NN3C(=O)CS/C3=N\c3ccc(Cl)cc3)c(-c3ccccc3)c2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is AEWUMTMRXCZQMA-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H19ClN4O2S/c1-15-7-12-20-19(13-15)22(16-5-3-2-4-6-16)23(28-20)24(32)29-30-21(31)14-33-25(30)27-18-10-8-17(26)9-11-18/h2-13,28H,14H2,1H3,(H,29,32)/b27-25-.
What are the key properties of N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-3-phenyl-1H-indole-2-carboxamide?
N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 474.97 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-5-methyl-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 3025820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).