About (5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one
(5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 6287032) has the molecular formula C24H17ClFN3OS2
and a molecular weight of 482.01 g/mol. Its IUPAC name is (5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one.
Molecular Properties
| Compound Name | (5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one |
|---|
| PubChem CID | 6287032 |
|---|
| Molecular Formula | C24H17ClFN3OS2 |
|---|
| Molecular Weight | 482.01 g/mol |
|---|
| Exact Mass | 481.05 |
|---|
| IUPAC Name | (5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one |
|---|
| SMILES | Cc1cccc(N2C(=O)/C(=C3/Sc4ccc(Cl)cc4N3C)S/C2=N\c2ccc(F)cc2)c1 |
|---|
| InChI | InChI=1S/C24H17ClFN3OS2/c1-14-4-3-5-18(12-14)29-22(30)21(32-24(29)27-17-9-7-16(26)8-10-17)23-28(2)19-13-15(25)6-11-20(19)31-23/h3-13H,1-2H3/b23-21-,27-24- |
|---|
| InChIKey | AJBCAWJAVXUIPI-RMEKRLHFSA-N |
|---|
| XLogP | 6.97 |
|---|
| TPSA | 35.91 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 32 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 482.01 |
| LogP ≤ 5 | 6.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
|---|
Analyze (5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of (5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one (CID 6287032) is (5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one is Cc1cccc(N2C(=O)/C(=C3/Sc4ccc(Cl)cc4N3C)S/C2=N\c2ccc(F)cc2)c1.
What is the InChIKey of (5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is AJBCAWJAVXUIPI-RMEKRLHFSA-N. The full InChI is InChI=1S/C24H17ClFN3OS2/c1-14-4-3-5-18(12-14)29-22(30)21(32-24(29)27-17-9-7-16(26)8-10-17)23-28(2)19-13-15(25)6-11-20(19)31-23/h3-13H,1-2H3/b23-21-,27-24-.
What are the key properties of (5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one?
(5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 482.01 g/mol, XLogP of 6.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 6287032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).