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

C13H11ClN2OS — CID 10468802

IUPAC(2Z)-2-[(3-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/c2cccc(Cl)c2)N=C2SCCCN12
InChIInChI=1S/C13H11ClN2OS/c14-10-4-1-3-9(7-10)8-11-12(17)16-5-2-6-18-13(16)15-11/h1,3-4,7-8H,2,5-6H2/b11-8-
InChIKeyGWJYZCALWBDHTL-FLIBITNWSA-N
MW278.76 g/mol
LogP3.02
Rot. Bonds1

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

(2Z)-2-[(3-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (PubChem CID 10468802) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is (2Z)-2-[(3-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
PubChem CID10468802
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name(2Z)-2-[(3-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/c2cccc(Cl)c2)N=C2SCCCN12
InChIInChI=1S/C13H11ClN2OS/c14-10-4-1-3-9(7-10)8-11-12(17)16-5-2-6-18-13(16)15-11/h1,3-4,7-8H,2,5-6H2/b11-8-
InChIKeyGWJYZCALWBDHTL-FLIBITNWSA-N
XLogP3.02
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.02
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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Related Compounds

2-((3-Chlorobenzyl)sulfanyl)-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 1486637
1-(2-((3-chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
CID 3467552
Disubstituted aryl-Me ATX inhibitor 4
CID 72836856
5-(4-chlorobenzylidene)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6(5H)-one
CID 1235692
2-{[1-allyl-4-(4-chlorobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-propylacetamide
CID 1820077
4-(3-chlorobenzylidene)-1-(dimethylamino)-2-(methylthio)-4,5-dihydro-1H-imidazol-5-one
CID 5919806
Monosubstituted aryl-Me ATX inhibitor 4
CID 72836852
5-(2-chlorobenzylidene)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6(5H)-one
CID 851056
Imidazo(2,1-b)thiazol-5(6H)-one, 2,3-dihydro-6-((4-chlorophenyl)methylene)-
CID 6449139
5-(2-chlorobenzylidene)-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one
CID 1611207
(2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
CID 10858553
(5Z)-5-[(4-chlorophenyl)methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
CID 1554685

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The IUPAC name of (2Z)-2-[(3-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (CID 10468802) is (2Z)-2-[(3-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.
What is the SMILES notation for (2Z)-2-[(3-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The canonical SMILES for (2Z)-2-[(3-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is O=C1/C(=C/c2cccc(Cl)c2)N=C2SCCCN12.
What is the InChIKey of (2Z)-2-[(3-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The InChIKey is GWJYZCALWBDHTL-FLIBITNWSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c14-10-4-1-3-9(7-10)8-11-12(17)16-5-2-6-18-13(16)15-11/h1,3-4,7-8H,2,5-6H2/b11-8-.
What are the key properties of (2Z)-2-[(3-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
(2Z)-2-[(3-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one has a molecular weight of 278.76 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is sourced from PubChem (CID 10468802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).