ethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate

C23H25F3N2O4S — CID 4875547

IUPACethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)C=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C23H25F3N2O4S/c1-3-32-21(30)13-20-28(14-19(29)27-10-8-15(2)9-11-27)22(31)18(33-20)12-16-4-6-17(7-5-16)23(24,25)26/h4-7,12-13,15H,3,8-11,14H2,1-2H3
InChIKeyAYVRQVSBOXLLOI-UHFFFAOYSA-N
MW482.52 g/mol
LogP2.36
Rot. Bonds5

About ethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate

ethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 4875547) has the molecular formula C23H25F3N2O4S and a molecular weight of 482.52 g/mol. Its IUPAC name is ethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate
PubChem CID4875547
Molecular FormulaC23H25F3N2O4S
Molecular Weight482.52 g/mol
Exact Mass482.15
IUPAC Nameethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)C=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C23H25F3N2O4S/c1-3-32-21(30)13-20-28(14-19(29)27-10-8-15(2)9-11-27)22(31)18(33-20)12-16-4-6-17(7-5-16)23(24,25)26/h4-7,12-13,15H,3,8-11,14H2,1-2H3
InChIKeyAYVRQVSBOXLLOI-UHFFFAOYSA-N
XLogP2.36
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate 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 ethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate (CID 4875547) is ethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)C=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)N1CCC(C)CC1.
What is the InChIKey of ethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is AYVRQVSBOXLLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O4S/c1-3-32-21(30)13-20-28(14-19(29)27-10-8-15(2)9-11-27)22(31)18(33-20)12-16-4-6-17(7-5-16)23(24,25)26/h4-7,12-13,15H,3,8-11,14H2,1-2H3.
What are the key properties of ethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate?
ethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 482.52 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 4875547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).