(2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one

C36H26N2O4S2 — CID 10100327

IUPAC(2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESCc1ccc(C(=O)/C=c2\s/c(=c3/s/c(=C\C(=O)c4ccc(C)cc4)n(-c4ccccc4)c3=O)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C36H26N2O4S2/c1-23-13-17-25(18-14-23)29(39)21-31-37(27-9-5-3-6-10-27)35(41)33(43-31)34-36(42)38(28-11-7-4-8-12-28)32(44-34)22-30(40)26-19-15-24(2)16-20-26/h3-22H,1-2H3/b31-21-,32-22-,34-33+
InChIKeyFTLIKSSXTAHZCE-AVLSBMQKSA-N
MW614.75 g/mol
LogP5.34
Rot. Bonds6

About (2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one

(2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 10100327) has the molecular formula C36H26N2O4S2 and a molecular weight of 614.75 g/mol. Its IUPAC name is (2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID10100327
Molecular FormulaC36H26N2O4S2
Molecular Weight614.75 g/mol
Exact Mass614.13
IUPAC Name(2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESCc1ccc(C(=O)/C=c2\s/c(=c3/s/c(=C\C(=O)c4ccc(C)cc4)n(-c4ccccc4)c3=O)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C36H26N2O4S2/c1-23-13-17-25(18-14-23)29(39)21-31-37(27-9-5-3-6-10-27)35(41)33(43-31)34-36(42)38(28-11-7-4-8-12-28)32(44-34)22-30(40)26-19-15-24(2)16-20-26/h3-22H,1-2H3/b31-21-,32-22-,34-33+
InChIKeyFTLIKSSXTAHZCE-AVLSBMQKSA-N
XLogP5.34
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one with MolForge

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Related Compounds

2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 67533006
(2Z,5E)-5-(3,4-dimethyl-1,3-thiazol-2-ylidene)-3-(4-methylphenyl)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 24766418
1,5-dimethyl-4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]-2-phenylpyrazol-3-one
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4-methylbenzenesulfonate;(2Z,5E)-3-(4-methylphenyl)-5-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 24766744
(3Z)-2-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]isoindol-1-one
CID 11832707
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
2-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)ethanone
CID 4702134
3-[5-(4-methylphenyl)thiophen-2-yl]-1-phenylprop-2-en-1-one
CID 71366312
(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961
(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 5376861
benzoic acid;4-methylbenzoic acid
CID 71272637
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 10100327) is (2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one is Cc1ccc(C(=O)/C=c2\s/c(=c3/s/c(=C\C(=O)c4ccc(C)cc4)n(-c4ccccc4)c3=O)c(=O)n2-c2ccccc2)cc1.
What is the InChIKey of (2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is FTLIKSSXTAHZCE-AVLSBMQKSA-N. The full InChI is InChI=1S/C36H26N2O4S2/c1-23-13-17-25(18-14-23)29(39)21-31-37(27-9-5-3-6-10-27)35(41)33(43-31)34-36(42)38(28-11-7-4-8-12-28)32(44-34)22-30(40)26-19-15-24(2)16-20-26/h3-22H,1-2H3/b31-21-,32-22-,34-33+.
What are the key properties of (2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one?
(2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 614.75 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(2Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 10100327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).