(6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

C12H9ClN2OS — CID 6449139

IUPAC(6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1/C(=C\c2ccc(Cl)cc2)N=C2SCCN12
InChIInChI=1S/C12H9ClN2OS/c13-9-3-1-8(2-4-9)7-10-11(16)15-5-6-17-12(15)14-10/h1-4,7H,5-6H2/b10-7+
InChIKeyOMWVQYRUAQMEGW-JXMROGBWSA-N
MW264.74 g/mol
LogP2.63
Rot. Bonds1

About (6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

(6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (PubChem CID 6449139) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is (6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.

Molecular Properties

Compound Name(6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
PubChem CID6449139
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name(6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1/C(=C\c2ccc(Cl)cc2)N=C2SCCN12
InChIInChI=1S/C12H9ClN2OS/c13-9-3-1-8(2-4-9)7-10-11(16)15-5-6-17-12(15)14-10/h1-4,7H,5-6H2/b10-7+
InChIKeyOMWVQYRUAQMEGW-JXMROGBWSA-N
XLogP2.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 2410243
5-(2,6-dichlorobenzylidene)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6(5H)-one
CID 851058
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
1-(2-((4-chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)propan-1-one
CID 3241414
(2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 6289697
3-Allyl-2-[(Z)-allylimino]-5-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-thiazolidin-4-one
CID 1880481
4-(4-chlorobenzylidene)-1-(dimethylamino)-2-(methylthio)-4,5-dihydro-1H-imidazol-5-one
CID 6090842
(2Z)-2-[(2-chlorophenyl)methylene]-5,6-dihydroimidazo[2,1-b]thiazol-3-one
CID 6476999
5-(2-chlorobenzylidene)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6(5H)-one
CID 851056
2-{[1-allyl-4-(4-chlorobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-cyclohexylacetamide
CID 1820080
1-[2-[(4-Chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 3249369

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The IUPAC name of (6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (CID 6449139) is (6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.
What is the SMILES notation for (6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The canonical SMILES for (6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is O=C1/C(=C\c2ccc(Cl)cc2)N=C2SCCN12.
What is the InChIKey of (6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The InChIKey is OMWVQYRUAQMEGW-JXMROGBWSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c13-9-3-1-8(2-4-9)7-10-11(16)15-5-6-17-12(15)14-10/h1-4,7H,5-6H2/b10-7+.
What are the key properties of (6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
(6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one has a molecular weight of 264.74 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is sourced from PubChem (CID 6449139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).