(2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one

C23H21F2N3O2S — CID 57391874

IUPAC(2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCc1ccc2c(c1)/C(=c1/sc(=Cc3ccc(F)c(F)c3)c(=O)n1CCN(C)C)C(=O)N2
InChIInChI=1S/C23H21F2N3O2S/c1-13-4-7-18-15(10-13)20(21(29)26-18)23-28(9-8-27(2)3)22(30)19(31-23)12-14-5-6-16(24)17(25)11-14/h4-7,10-12H,8-9H2,1-3H3,(H,26,29)/b19-12?,23-20-
InChIKeyXQPZRYRYZAOGCE-UFHKUIRSSA-N
MW441.50 g/mol
LogP2.04
Rot. Bonds4

About (2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one

(2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one (PubChem CID 57391874) has the molecular formula C23H21F2N3O2S and a molecular weight of 441.50 g/mol. Its IUPAC name is (2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
PubChem CID57391874
Molecular FormulaC23H21F2N3O2S
Molecular Weight441.50 g/mol
Exact Mass441.13
IUPAC Name(2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCc1ccc2c(c1)/C(=c1/sc(=Cc3ccc(F)c(F)c3)c(=O)n1CCN(C)C)C(=O)N2
InChIInChI=1S/C23H21F2N3O2S/c1-13-4-7-18-15(10-13)20(21(29)26-18)23-28(9-8-27(2)3)22(30)19(31-23)12-14-5-6-16(24)17(25)11-14/h4-7,10-12H,8-9H2,1-3H3,(H,26,29)/b19-12?,23-20-
InChIKeyXQPZRYRYZAOGCE-UFHKUIRSSA-N
XLogP2.04
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one (CID 57391874) is (2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one is Cc1ccc2c(c1)/C(=c1/sc(=Cc3ccc(F)c(F)c3)c(=O)n1CCN(C)C)C(=O)N2.
What is the InChIKey of (2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is XQPZRYRYZAOGCE-UFHKUIRSSA-N. The full InChI is InChI=1S/C23H21F2N3O2S/c1-13-4-7-18-15(10-13)20(21(29)26-18)23-28(9-8-27(2)3)22(30)19(31-23)12-14-5-6-16(24)17(25)11-14/h4-7,10-12H,8-9H2,1-3H3,(H,26,29)/b19-12?,23-20-.
What are the key properties of (2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
(2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 441.50 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 57391874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).