(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one

C15H16N2O3S — CID 11748721

IUPAC(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESCOc1ccc(/C=C2\N=C3SCCCN3C2=O)c(OC)c1
InChIInChI=1S/C15H16N2O3S/c1-19-11-5-4-10(13(9-11)20-2)8-12-14(18)17-6-3-7-21-15(17)16-12/h4-5,8-9H,3,6-7H2,1-2H3/b12-8-
InChIKeyVJGBJSCFWTWOIR-WQLSENKSSA-N
MW304.37 g/mol
LogP2.38
Rot. Bonds3

About (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one

(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (PubChem CID 11748721) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
PubChem CID11748721
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESCOc1ccc(/C=C2\N=C3SCCCN3C2=O)c(OC)c1
InChIInChI=1S/C15H16N2O3S/c1-19-11-5-4-10(13(9-11)20-2)8-12-14(18)17-6-3-7-21-15(17)16-12/h4-5,8-9H,3,6-7H2,1-2H3/b12-8-
InChIKeyVJGBJSCFWTWOIR-WQLSENKSSA-N
XLogP2.38
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The IUPAC name of (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (CID 11748721) is (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.
What is the SMILES notation for (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The canonical SMILES for (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is COc1ccc(/C=C2\N=C3SCCCN3C2=O)c(OC)c1.
What is the InChIKey of (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The InChIKey is VJGBJSCFWTWOIR-WQLSENKSSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-19-11-5-4-10(13(9-11)20-2)8-12-14(18)17-6-3-7-21-15(17)16-12/h4-5,8-9H,3,6-7H2,1-2H3/b12-8-.
What are the key properties of (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one has a molecular weight of 304.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is sourced from PubChem (CID 11748721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).