(5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one

C17H15F2N3O3S — CID 2732805

IUPAC(5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCN(C)/C=C1\C(=O)N(c2ccc(F)cc2F)C(c2cccnc2)S1(=O)=O
InChIInChI=1S/C17H15F2N3O3S/c1-21(2)10-15-16(23)22(14-6-5-12(18)8-13(14)19)17(26(15,24)25)11-4-3-7-20-9-11/h3-10,17H,1-2H3/b15-10+
InChIKeyDFWWVXWXNCXMEG-XNTDXEJSSA-N
MW379.39 g/mol
LogP2.22
Rot. Bonds3

About (5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one

(5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 2732805) has the molecular formula C17H15F2N3O3S and a molecular weight of 379.39 g/mol. Its IUPAC name is (5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID2732805
Molecular FormulaC17H15F2N3O3S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name(5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCN(C)/C=C1\C(=O)N(c2ccc(F)cc2F)C(c2cccnc2)S1(=O)=O
InChIInChI=1S/C17H15F2N3O3S/c1-21(2)10-15-16(23)22(14-6-5-12(18)8-13(14)19)17(26(15,24)25)11-4-3-7-20-9-11/h3-10,17H,1-2H3/b15-10+
InChIKeyDFWWVXWXNCXMEG-XNTDXEJSSA-N
XLogP2.22
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-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 (5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 2732805) is (5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one is CN(C)/C=C1\C(=O)N(c2ccc(F)cc2F)C(c2cccnc2)S1(=O)=O.
What is the InChIKey of (5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is DFWWVXWXNCXMEG-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H15F2N3O3S/c1-21(2)10-15-16(23)22(14-6-5-12(18)8-13(14)19)17(26(15,24)25)11-4-3-7-20-9-11/h3-10,17H,1-2H3/b15-10+.
What are the key properties of (5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one?
(5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 379.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(2,4-difluorophenyl)-5-(dimethylaminomethylidene)-1,1-dioxo-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2732805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).