(2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one

C24H24N2O3S — CID 8685322

IUPAC(2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1C(=O)/C=c1\s/c(=C\c2ccc(N3CCOCC3)cc2)c(=O)n1C
InChIInChI=1S/C24H24N2O3S/c1-17-5-3-4-6-20(17)21(27)16-23-25(2)24(28)22(30-23)15-18-7-9-19(10-8-18)26-11-13-29-14-12-26/h3-10,15-16H,11-14H2,1-2H3/b22-15-,23-16-
InChIKeyATNTZDIPZJVELR-OZKZUFLSSA-N
MW420.53 g/mol
LogP2.08
Rot. Bonds4

About (2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 8685322) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is (2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID8685322
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name(2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1C(=O)/C=c1\s/c(=C\c2ccc(N3CCOCC3)cc2)c(=O)n1C
InChIInChI=1S/C24H24N2O3S/c1-17-5-3-4-6-20(17)21(27)16-23-25(2)24(28)22(30-23)15-18-7-9-19(10-8-18)26-11-13-29-14-12-26/h3-10,15-16H,11-14H2,1-2H3/b22-15-,23-16-
InChIKeyATNTZDIPZJVELR-OZKZUFLSSA-N
XLogP2.08
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

(2Z,5Z)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8831734
4-[(E)-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 17470453
ethyl (2Z)-5-cyclohexyl-7-methyl-2-[(4-morpholin-4-ylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 141480159
(2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831524
5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4854641
(E)-1-(2,5-dimethylthiophen-3-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8727394
(2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8831545
ethyl (2E,5R)-7-methyl-2-[(4-morpholin-4-ylphenyl)methylidene]-3-oxo-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126065794
propan-2-yl (2Z,5S)-5-(4-ethoxyphenyl)-7-methyl-2-[(4-morpholin-4-ylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126075666
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748
ethyl (2Z)-2-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 7973447
3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
CID 7966351

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 8685322) is (2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one is Cc1ccccc1C(=O)/C=c1\s/c(=C\c2ccc(N3CCOCC3)cc2)c(=O)n1C.
What is the InChIKey of (2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is ATNTZDIPZJVELR-OZKZUFLSSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-17-5-3-4-6-20(17)21(27)16-23-25(2)24(28)22(30-23)15-18-7-9-19(10-8-18)26-11-13-29-14-12-26/h3-10,15-16H,11-14H2,1-2H3/b22-15-,23-16-.
What are the key properties of (2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 420.53 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 8685322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).