4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide

C24H19FN4O3S — CID 90129789

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1F
InChIInChI=1S/C24H19FN4O3S/c25-21-14-19(29-11-2-12-33(29,31)32)6-7-20(21)24(30)27-18-4-1-3-16(13-18)22-8-5-17-15-26-10-9-23(17)28-22/h1,3-10,13-15H,2,11-12H2,(H,27,30)
InChIKeyTXDRYZLAENBPSL-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.23
Rot. Bonds4

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide (PubChem CID 90129789) has the molecular formula C24H19FN4O3S and a molecular weight of 462.51 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide
PubChem CID90129789
Molecular FormulaC24H19FN4O3S
Molecular Weight462.51 g/mol
Exact Mass462.12
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1F
InChIInChI=1S/C24H19FN4O3S/c25-21-14-19(29-11-2-12-33(29,31)32)6-7-20(21)24(30)27-18-4-1-3-16(13-18)22-8-5-17-15-26-10-9-23(17)28-22/h1,3-10,13-15H,2,11-12H2,(H,27,30)
InChIKeyTXDRYZLAENBPSL-UHFFFAOYSA-N
XLogP4.23
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide 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 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide (CID 90129789) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCS2(=O)=O)cc1F.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
The InChIKey is TXDRYZLAENBPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3S/c25-21-14-19(29-11-2-12-33(29,31)32)6-7-20(21)24(30)27-18-4-1-3-16(13-18)22-8-5-17-15-26-10-9-23(17)28-22/h1,3-10,13-15H,2,11-12H2,(H,27,30).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide has a molecular weight of 462.51 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 90129789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).