(2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one

C15H14N2OS — CID 10858553

IUPAC(2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/C=C/c2ccccc2)N=C2SCCCN12
InChIInChI=1S/C15H14N2OS/c18-14-13(16-15-17(14)10-5-11-19-15)9-4-8-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2/b8-4+,13-9-
InChIKeyJUDWZGFRAKZCAL-VEJZVKIUSA-N
MW270.36 g/mol
LogP2.92
Rot. Bonds2

About (2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one

(2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (PubChem CID 10858553) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is (2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
PubChem CID10858553
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name(2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/C=C/c2ccccc2)N=C2SCCCN12
InChIInChI=1S/C15H14N2OS/c18-14-13(16-15-17(14)10-5-11-19-15)9-4-8-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2/b8-4+,13-9-
InChIKeyJUDWZGFRAKZCAL-VEJZVKIUSA-N
XLogP2.92
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The IUPAC name of (2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (CID 10858553) is (2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.
What is the SMILES notation for (2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The canonical SMILES for (2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is O=C1/C(=C/C=C/c2ccccc2)N=C2SCCCN12.
What is the InChIKey of (2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The InChIKey is JUDWZGFRAKZCAL-VEJZVKIUSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-14-13(16-15-17(14)10-5-11-19-15)9-4-8-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2/b8-4+,13-9-.
What are the key properties of (2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
(2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one has a molecular weight of 270.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is sourced from PubChem (CID 10858553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).