(5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione

C17H16N2O2S — CID 1202959

IUPAC(5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-11-9-13(10-15-16(20)18(3)17(21)22-15)12(2)19(11)14-7-5-4-6-8-14/h4-10H,1-3H3/b15-10-
InChIKeyPLJSBSQVXCXKKY-GDNBJRDFSA-N
MW312.39 g/mol
LogP3.76
Rot. Bonds2

About (5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione

(5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 1202959) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is (5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID1202959
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name(5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-11-9-13(10-15-16(20)18(3)17(21)22-15)12(2)19(11)14-7-5-4-6-8-14/h4-10H,1-3H3/b15-10-
InChIKeyPLJSBSQVXCXKKY-GDNBJRDFSA-N
XLogP3.76
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (CID 1202959) is (5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccccc1.
What is the InChIKey of (5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is PLJSBSQVXCXKKY-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-9-13(10-15-16(20)18(3)17(21)22-15)12(2)19(11)14-7-5-4-6-8-14/h4-10H,1-3H3/b15-10-.
What are the key properties of (5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 312.39 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1202959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).