3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one

C17H10Cl2FN3O2S — CID 137262549

IUPAC3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1Nc2cc(Cl)c(F)cc2/C1=N\N1C(=O)CSC1c1ccccc1Cl
InChIInChI=1S/C17H10Cl2FN3O2S/c18-10-4-2-1-3-8(10)17-23(14(24)7-26-17)22-15-9-5-12(20)11(19)6-13(9)21-16(15)25/h1-6,17H,7H2,(H,21,22,25)
InChIKeyZQNSAJNWYDJHAJ-UHFFFAOYSA-N
MW410.26 g/mol
LogP4.06
Rot. Bonds2

About 3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one

3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one (PubChem CID 137262549) has the molecular formula C17H10Cl2FN3O2S and a molecular weight of 410.26 g/mol. Its IUPAC name is 3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one
PubChem CID137262549
Molecular FormulaC17H10Cl2FN3O2S
Molecular Weight410.26 g/mol
Exact Mass408.99
IUPAC Name3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1Nc2cc(Cl)c(F)cc2/C1=N\N1C(=O)CSC1c1ccccc1Cl
InChIInChI=1S/C17H10Cl2FN3O2S/c18-10-4-2-1-3-8(10)17-23(14(24)7-26-17)22-15-9-5-12(20)11(19)6-13(9)21-16(15)25/h1-6,17H,7H2,(H,21,22,25)
InChIKeyZQNSAJNWYDJHAJ-UHFFFAOYSA-N
XLogP4.06
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one (CID 137262549) is 3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one is O=C1Nc2cc(Cl)c(F)cc2/C1=N\N1C(=O)CSC1c1ccccc1Cl.
What is the InChIKey of 3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is ZQNSAJNWYDJHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FN3O2S/c18-10-4-2-1-3-8(10)17-23(14(24)7-26-17)22-15-9-5-12(20)11(19)6-13(9)21-16(15)25/h1-6,17H,7H2,(H,21,22,25).
What are the key properties of 3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one?
3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 410.26 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 137262549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).