(5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

C20H18N2O2S — CID 143165547

IUPAC(5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESC/C=C\c1[nH]c(-c2ccccc2)c(/C=C2\SC(=O)NC2=O)c1/C=C\C
InChIInChI=1S/C20H18N2O2S/c1-3-8-14-15(12-17-19(23)22-20(24)25-17)18(21-16(14)9-4-2)13-10-6-5-7-11-13/h3-12,21H,1-2H3,(H,22,23,24)/b8-3-,9-4-,17-12-
InChIKeyZZYNLFOLXWOOCG-GEHAFJSJSA-N
MW350.44 g/mol
LogP5.07
Rot. Bonds4

About (5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 143165547) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is (5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID143165547
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name(5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESC/C=C\c1[nH]c(-c2ccccc2)c(/C=C2\SC(=O)NC2=O)c1/C=C\C
InChIInChI=1S/C20H18N2O2S/c1-3-8-14-15(12-17-19(23)22-20(24)25-17)18(21-16(14)9-4-2)13-10-6-5-7-11-13/h3-12,21H,1-2H3,(H,22,23,24)/b8-3-,9-4-,17-12-
InChIKeyZZYNLFOLXWOOCG-GEHAFJSJSA-N
XLogP5.07
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 143165547) is (5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione is C/C=C\c1[nH]c(-c2ccccc2)c(/C=C2\SC(=O)NC2=O)c1/C=C\C.
What is the InChIKey of (5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZZYNLFOLXWOOCG-GEHAFJSJSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-3-8-14-15(12-17-19(23)22-20(24)25-17)18(21-16(14)9-4-2)13-10-6-5-7-11-13/h3-12,21H,1-2H3,(H,22,23,24)/b8-3-,9-4-,17-12-.
What are the key properties of (5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 350.44 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-phenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 143165547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).