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

C26H29N3O3S — CID 57395315

IUPAC(2Z)-3-[3-(diethylamino)propyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCn1c(=O)c(=Cc2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C26H29N3O3S/c1-4-28(5-2)13-6-14-29-25(32)22(16-18-8-10-19(30)11-9-18)33-26(29)23-20-15-17(3)7-12-21(20)27-24(23)31/h7-12,15-16,30H,4-6,13-14H2,1-3H3,(H,27,31)/b22-16?,26-23-
InChIKeyLMALWFHFYIIKLC-KOGAEESUSA-N
MW463.60 g/mol
LogP2.64
Rot. Bonds7

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

(2Z)-3-[3-(diethylamino)propyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one (PubChem CID 57395315) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is (2Z)-3-[3-(diethylamino)propyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[3-(diethylamino)propyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
PubChem CID57395315
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name(2Z)-3-[3-(diethylamino)propyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCn1c(=O)c(=Cc2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C26H29N3O3S/c1-4-28(5-2)13-6-14-29-25(32)22(16-18-8-10-19(30)11-9-18)33-26(29)23-20-15-17(3)7-12-21(20)27-24(23)31/h7-12,15-16,30H,4-6,13-14H2,1-3H3,(H,27,31)/b22-16?,26-23-
InChIKeyLMALWFHFYIIKLC-KOGAEESUSA-N
XLogP2.64
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Hydroxy-3,5-diisopropylbenzylidene)indolin-2-one
CID 10426229
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
(2Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
CID 57391989
(3E)-3-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 10687244
(2Z,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
CID 53376061
(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
(2Z,5Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 53376063
(2Z,5Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 53376064
(2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
CID 53376922
(2Z,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
CID 56666729
(2Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
CID 57393607

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[3-(diethylamino)propyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[3-(diethylamino)propyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one (CID 57395315) is (2Z)-3-[3-(diethylamino)propyl]-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)-3-[3-(diethylamino)propyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[3-(diethylamino)propyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one is CCN(CC)CCCn1c(=O)c(=Cc2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(C)cc21.
What is the InChIKey of (2Z)-3-[3-(diethylamino)propyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is LMALWFHFYIIKLC-KOGAEESUSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-4-28(5-2)13-6-14-29-25(32)22(16-18-8-10-19(30)11-9-18)33-26(29)23-20-15-17(3)7-12-21(20)27-24(23)31/h7-12,15-16,30H,4-6,13-14H2,1-3H3,(H,27,31)/b22-16?,26-23-.
What are the key properties of (2Z)-3-[3-(diethylamino)propyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
(2Z)-3-[3-(diethylamino)propyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 463.60 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[3-(diethylamino)propyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 57395315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).