(5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

C26H20N2O2S — CID 21374628

IUPAC(5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)S/C(=C\c3cccn3-c3ccc4ccccc4c3)C2=O)cc1
InChIInChI=1S/C26H20N2O2S/c1-18-8-10-19(11-9-18)17-28-25(29)24(31-26(28)30)16-22-7-4-14-27(22)23-13-12-20-5-2-3-6-21(20)15-23/h2-16H,17H2,1H3/b24-16-
InChIKeyBDQNGSDDZYZGCA-JLPGSUDCSA-N
MW424.53 g/mol
LogP6.18
Rot. Bonds4

About (5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 21374628) has the molecular formula C26H20N2O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is (5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID21374628
Molecular FormulaC26H20N2O2S
Molecular Weight424.53 g/mol
Exact Mass424.12
IUPAC Name(5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)S/C(=C\c3cccn3-c3ccc4ccccc4c3)C2=O)cc1
InChIInChI=1S/C26H20N2O2S/c1-18-8-10-19(11-9-18)17-28-25(29)24(31-26(28)30)16-22-7-4-14-27(22)23-13-12-20-5-2-3-6-21(20)15-23/h2-16H,17H2,1H3/b24-16-
InChIKeyBDQNGSDDZYZGCA-JLPGSUDCSA-N
XLogP6.18
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-3-[2-(4-methylphenoxy)ethyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 21374627
N-(3,4-dimethylphenyl)-2-[(5Z)-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 21374641
N-(4-methoxyphenyl)-2-[(5Z)-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 21374639
(5Z)-5-[(1,5-dimethylpyrrol-2-yl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 50855865
(5E)-3-[(4-chlorophenyl)methyl]-5-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126240594
(5Z)-3-[(4-methylphenyl)methyl]-5-[(5-naphthalen-2-yloxythiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 177372401
(5Z)-3-[(4-nitrophenyl)methyl]-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6292574
(5E)-3-(cyclohexylmethyl)-5-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126149551
3-[2-[[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
CID 3398817
(5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 126073478
(5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21377360
2-[(5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 2171142

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 21374628) is (5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(CN2C(=O)S/C(=C\c3cccn3-c3ccc4ccccc4c3)C2=O)cc1.
What is the InChIKey of (5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is BDQNGSDDZYZGCA-JLPGSUDCSA-N. The full InChI is InChI=1S/C26H20N2O2S/c1-18-8-10-19(11-9-18)17-28-25(29)24(31-26(28)30)16-22-7-4-14-27(22)23-13-12-20-5-2-3-6-21(20)15-23/h2-16H,17H2,1H3/b24-16-.
What are the key properties of (5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 424.53 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 21374628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).