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

C22H21N3O3S — CID 57391989

IUPAC(2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCN(C)CCn1c(=O)c(=Cc2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C22H21N3O3S/c1-24(2)11-12-25-21(28)18(13-14-7-9-15(26)10-8-14)29-22(25)19-16-5-3-4-6-17(16)23-20(19)27/h3-10,13,26H,11-12H2,1-2H3,(H,23,27)/b18-13?,22-19-
InChIKeyANNKVZXRHJWDKI-DXXLDJQVSA-N
MW407.50 g/mol
LogP1.16
Rot. Bonds4

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

(2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one (PubChem CID 57391989) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is (2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
PubChem CID57391989
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name(2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCN(C)CCn1c(=O)c(=Cc2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C22H21N3O3S/c1-24(2)11-12-25-21(28)18(13-14-7-9-15(26)10-8-14)29-22(25)19-16-5-3-4-6-17(16)23-20(19)27/h3-10,13,26H,11-12H2,1-2H3,(H,23,27)/b18-13?,22-19-
InChIKeyANNKVZXRHJWDKI-DXXLDJQVSA-N
XLogP1.16
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-3-(4-hydroxybenzylidene)indolin-2-one
CID 10561847
N-(2-(diethylamino)ethyl)-5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)methyl)-2-methylselenophene-3-carboxamide
CID 44184236
5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)methyl)-2-methyl-N-(2-(pyrrolidin-1-yl)ethyl)selenophene-3-carboxamide
CID 44184395
N-(2-(dimethylamino)ethyl)-5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)methyl)-2-methylselenophene-3-carboxamide
CID 46933087
N-[(5Z)-5-(1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-hydroxybenzamide
CID 1553734
3-(4-Hydroxybenzylidenyl)indolin-2-one
CID 5874584
3-(4-Hydroxy-3,5-bis(methylthiomethyl)benzylidene)indolin-2-one
CID 10043899
4-[2-[2-(4-Hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one
CID 23322053
4-{(5Z)-2,4-dioxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidin-3-yl}-N-(4-hydroxyphenyl)butanamide
CID 1347715
N-(2-(dimethylamino)ethyl)-5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)methyl)selenophene-2-carboxamide
CID 49865416
N-(2-(diethylamino)ethyl)-5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)methyl)selenophene-2-carboxamide
CID 49865417
5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)methyl)-N-(2-(pyrrolidin-1-yl)ethyl)selenophene-2-carboxamide
CID 49865418

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one (CID 57391989) is (2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one is CN(C)CCn1c(=O)c(=Cc2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccccc21.
What is the InChIKey of (2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is ANNKVZXRHJWDKI-DXXLDJQVSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-24(2)11-12-25-21(28)18(13-14-7-9-15(26)10-8-14)29-22(25)19-16-5-3-4-6-17(16)23-20(19)27/h3-10,13,26H,11-12H2,1-2H3,(H,23,27)/b18-13?,22-19-.
What are the key properties of (2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
(2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 407.50 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 57391989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).