(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one

C18H23N3OS — CID 938732

IUPAC(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
SMILESCCN(CC)c1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1
InChIInChI=1S/C18H23N3OS/c1-3-20(4-2)15-9-7-14(8-10-15)13-16-17(22)19-18(23-16)21-11-5-6-12-21/h7-10,13H,3-6,11-12H2,1-2H3/b16-13-
InChIKeyGJNLKGYKJRCXFP-SSZFMOIBSA-N
MW329.47 g/mol
LogP3.60
Rot. Bonds4

About (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one

(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one (PubChem CID 938732) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
PubChem CID938732
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
SMILESCCN(CC)c1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1
InChIInChI=1S/C18H23N3OS/c1-3-20(4-2)15-9-7-14(8-10-15)13-16-17(22)19-18(23-16)21-11-5-6-12-21/h7-10,13H,3-6,11-12H2,1-2H3/b16-13-
InChIKeyGJNLKGYKJRCXFP-SSZFMOIBSA-N
XLogP3.60
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one 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-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one (CID 938732) is (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one is CCN(CC)c1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1.
What is the InChIKey of (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
The InChIKey is GJNLKGYKJRCXFP-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-3-20(4-2)15-9-7-14(8-10-15)13-16-17(22)19-18(23-16)21-11-5-6-12-21/h7-10,13H,3-6,11-12H2,1-2H3/b16-13-.
What are the key properties of (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one has a molecular weight of 329.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 938732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).