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

C15H16N2O2S — CID 702098

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1
InChIInChI=1S/C15H16N2O2S/c1-19-12-6-4-11(5-7-12)10-13-14(18)16-15(20-13)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3/b13-10-
InChIKeySQTYFQKACUMXOM-RAXLEYEMSA-N
MW288.37 g/mol
LogP2.76
Rot. Bonds2

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

(5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one (PubChem CID 702098) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
PubChem CID702098
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1
InChIInChI=1S/C15H16N2O2S/c1-19-12-6-4-11(5-7-12)10-13-14(18)16-15(20-13)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3/b13-10-
InChIKeySQTYFQKACUMXOM-RAXLEYEMSA-N
XLogP2.76
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(4-methoxyphenyl)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-methoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one (CID 702098) is (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one is COc1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
The InChIKey is SQTYFQKACUMXOM-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-12-6-4-11(5-7-12)10-13-14(18)16-15(20-13)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3/b13-10-.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one has a molecular weight of 288.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 702098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).