4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde

C24H20FN3O4S — CID 57390201

IUPAC4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde
SMILESCN(C)CCn1c(=O)c(=Cc2ccc(C=O)c(C=O)c2)s/c1=C1\C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C24H20FN3O4S/c1-27(2)7-8-28-23(32)20(10-14-3-4-15(12-29)16(9-14)13-30)33-24(28)21-18-6-5-17(25)11-19(18)26-22(21)31/h3-6,9-13H,7-8H2,1-2H3,(H,26,31)/b20-10?,24-21-
InChIKeyAVMUWCLUFZQMMP-PAEZVCMUSA-N
MW465.51 g/mol
LogP1.22
Rot. Bonds6

About 4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde

4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde (PubChem CID 57390201) has the molecular formula C24H20FN3O4S and a molecular weight of 465.51 g/mol. Its IUPAC name is 4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde.

Molecular Properties

Compound Name4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde
PubChem CID57390201
Molecular FormulaC24H20FN3O4S
Molecular Weight465.51 g/mol
Exact Mass465.12
IUPAC Name4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde
SMILESCN(C)CCn1c(=O)c(=Cc2ccc(C=O)c(C=O)c2)s/c1=C1\C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C24H20FN3O4S/c1-27(2)7-8-28-23(32)20(10-14-3-4-15(12-29)16(9-14)13-30)33-24(28)21-18-6-5-17(25)11-19(18)26-22(21)31/h3-6,9-13H,7-8H2,1-2H3,(H,26,31)/b20-10?,24-21-
InChIKeyAVMUWCLUFZQMMP-PAEZVCMUSA-N
XLogP1.22
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde?
The IUPAC name of 4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde (CID 57390201) is 4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde.
What is the SMILES notation for 4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde?
The canonical SMILES for 4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde is CN(C)CCn1c(=O)c(=Cc2ccc(C=O)c(C=O)c2)s/c1=C1\C(=O)Nc2cc(F)ccc21.
What is the InChIKey of 4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde?
The InChIKey is AVMUWCLUFZQMMP-PAEZVCMUSA-N. The full InChI is InChI=1S/C24H20FN3O4S/c1-27(2)7-8-28-23(32)20(10-14-3-4-15(12-29)16(9-14)13-30)33-24(28)21-18-6-5-17(25)11-19(18)26-22(21)31/h3-6,9-13H,7-8H2,1-2H3,(H,26,31)/b20-10?,24-21-.
What are the key properties of 4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde?
4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde has a molecular weight of 465.51 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phthalaldehyde is sourced from PubChem (CID 57390201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).