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

C23H23N3O3S — CID 53376062

IUPAC(2Z,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCc1ccc2c(c1)/C(=c1/s/c(=C\c3ccc(O)cc3)c(=O)n1CCN(C)C)C(=O)N2
InChIInChI=1S/C23H23N3O3S/c1-14-4-9-18-17(12-14)20(21(28)24-18)23-26(11-10-25(2)3)22(29)19(30-23)13-15-5-7-16(27)8-6-15/h4-9,12-13,27H,10-11H2,1-3H3,(H,24,28)/b19-13-,23-20-
InChIKeyMTKOPYHQVJUTSC-DWLPMCKKSA-N
MW421.52 g/mol
LogP1.47
Rot. Bonds4

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

(2Z,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one (PubChem CID 53376062) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is (2Z,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
PubChem CID53376062
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name(2Z,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCc1ccc2c(c1)/C(=c1/s/c(=C\c3ccc(O)cc3)c(=O)n1CCN(C)C)C(=O)N2
InChIInChI=1S/C23H23N3O3S/c1-14-4-9-18-17(12-14)20(21(28)24-18)23-26(11-10-25(2)3)22(29)19(30-23)13-15-5-7-16(27)8-6-15/h4-9,12-13,27H,10-11H2,1-3H3,(H,24,28)/b19-13-,23-20-
InChIKeyMTKOPYHQVJUTSC-DWLPMCKKSA-N
XLogP1.47
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2Z,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-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,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one (CID 53376062) is (2Z,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one is Cc1ccc2c(c1)/C(=c1/s/c(=C\c3ccc(O)cc3)c(=O)n1CCN(C)C)C(=O)N2.
What is the InChIKey of (2Z,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is MTKOPYHQVJUTSC-DWLPMCKKSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-14-4-9-18-17(12-14)20(21(28)24-18)23-26(11-10-25(2)3)22(29)19(30-23)13-15-5-7-16(27)8-6-15/h4-9,12-13,27H,10-11H2,1-3H3,(H,24,28)/b19-13-,23-20-.
What are the key properties of (2Z,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
(2Z,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 421.52 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 53376062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).