ethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C23H24N2O4S2 — CID 2564203

IUPACethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C\c2sccc2C)c(=O)n1CC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C23H24N2O4S2/c1-4-29-22(27)12-21-25(14-20(26)24-13-17-7-5-15(2)6-8-17)23(28)19(31-21)11-18-16(3)9-10-30-18/h5-12H,4,13-14H2,1-3H3,(H,24,26)/b19-11-,21-12-
InChIKeyALTILUMTBZMJFX-AEBOSEQSSA-N
MW456.59 g/mol
LogP2.08
Rot. Bonds7

About ethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2564203) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID2564203
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC Nameethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C\c2sccc2C)c(=O)n1CC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C23H24N2O4S2/c1-4-29-22(27)12-21-25(14-20(26)24-13-17-7-5-15(2)6-8-17)23(28)19(31-21)11-18-16(3)9-10-30-18/h5-12H,4,13-14H2,1-3H3,(H,24,26)/b19-11-,21-12-
InChIKeyALTILUMTBZMJFX-AEBOSEQSSA-N
XLogP2.08
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 2564203) is ethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C\c2sccc2C)c(=O)n1CC(=O)NCc1ccc(C)cc1.
What is the InChIKey of ethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is ALTILUMTBZMJFX-AEBOSEQSSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-4-29-22(27)12-21-25(14-20(26)24-13-17-7-5-15(2)6-8-17)23(28)19(31-21)11-18-16(3)9-10-30-18/h5-12H,4,13-14H2,1-3H3,(H,24,26)/b19-11-,21-12-.
What are the key properties of ethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 456.59 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(5Z)-3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2564203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).