(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one

C16H16N2OS — CID 694255

IUPAC(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCC2)S/C1=C\C=C\c1ccccc1
InChIInChI=1S/C16H16N2OS/c19-15-14(10-6-9-13-7-2-1-3-8-13)20-16(17-15)18-11-4-5-12-18/h1-3,6-10H,4-5,11-12H2/b9-6+,14-10-
InChIKeyKYEFDEKUDBDGJM-NHZNEZGNSA-N
MW284.38 g/mol
LogP3.31
Rot. Bonds2

About (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one

(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one (PubChem CID 694255) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
PubChem CID694255
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCC2)S/C1=C\C=C\c1ccccc1
InChIInChI=1S/C16H16N2OS/c19-15-14(10-6-9-13-7-2-1-3-8-13)20-16(17-15)18-11-4-5-12-18/h1-3,6-10H,4-5,11-12H2/b9-6+,14-10-
InChIKeyKYEFDEKUDBDGJM-NHZNEZGNSA-N
XLogP3.31
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one (CID 694255) is (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one is O=C1N=C(N2CCCC2)S/C1=C\C=C\c1ccccc1.
What is the InChIKey of (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
The InChIKey is KYEFDEKUDBDGJM-NHZNEZGNSA-N. The full InChI is InChI=1S/C16H16N2OS/c19-15-14(10-6-9-13-7-2-1-3-8-13)20-16(17-15)18-11-4-5-12-18/h1-3,6-10H,4-5,11-12H2/b9-6+,14-10-.
What are the key properties of (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one has a molecular weight of 284.38 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 694255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).