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

C13H10Cl2N2OS — CID 90667665

IUPAC(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2Cl)N=C2SCCCN12
InChIInChI=1S/C13H10Cl2N2OS/c14-9-3-2-8(10(15)7-9)6-11-12(18)17-4-1-5-19-13(17)16-11/h2-3,6-7H,1,4-5H2/b11-6-
InChIKeyPDVQMRNULGDUHO-WDZFZDKYSA-N
MW313.21 g/mol
LogP3.67
Rot. Bonds1

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

(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (PubChem CID 90667665) has the molecular formula C13H10Cl2N2OS and a molecular weight of 313.21 g/mol. Its IUPAC name is (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
PubChem CID90667665
Molecular FormulaC13H10Cl2N2OS
Molecular Weight313.21 g/mol
Exact Mass311.99
IUPAC Name(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2Cl)N=C2SCCCN12
InChIInChI=1S/C13H10Cl2N2OS/c14-9-3-2-8(10(15)7-9)6-11-12(18)17-4-1-5-19-13(17)16-11/h2-3,6-7H,1,4-5H2/b11-6-
InChIKeyPDVQMRNULGDUHO-WDZFZDKYSA-N
XLogP3.67
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 53.67
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

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-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 1486640
2-{[1-allyl-4-(4-chlorobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-propylacetamide
CID 1820077
Disubstituted aryl-Me ATX inhibitor 2
CID 2261002
Disubstituted aryl-Me ATX inhibitor 5
CID 1971684
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
(2Z)-2-[(E)-3-phenylprop-2-enylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
CID 10858553
(2Z)-2-[(2-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
CID 1281702
(2Z)-2-[(3-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
CID 10468802
(2Z)-2-[(2,3-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
CID 11045217

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The IUPAC name of (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (CID 90667665) is (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.
What is the SMILES notation for (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The canonical SMILES for (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is O=C1/C(=C/c2ccc(Cl)cc2Cl)N=C2SCCCN12.
What is the InChIKey of (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The InChIKey is PDVQMRNULGDUHO-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS/c14-9-3-2-8(10(15)7-9)6-11-12(18)17-4-1-5-19-13(17)16-11/h2-3,6-7H,1,4-5H2/b11-6-.
What are the key properties of (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one has a molecular weight of 313.21 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is sourced from PubChem (CID 90667665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).