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

C13H10Cl2N2OS — CID 11045217

IUPAC(2Z)-2-[(2,3-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/c2cccc(Cl)c2Cl)N=C2SCCCN12
InChIInChI=1S/C13H10Cl2N2OS/c14-9-4-1-3-8(11(9)15)7-10-12(18)17-5-2-6-19-13(17)16-10/h1,3-4,7H,2,5-6H2/b10-7-
InChIKeyPBHQXZWCGJMABF-YFHOEESVSA-N
MW313.21 g/mol
LogP3.67
Rot. Bonds1

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

(2Z)-2-[(2,3-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (PubChem CID 11045217) has the molecular formula C13H10Cl2N2OS and a molecular weight of 313.21 g/mol. Its IUPAC name is (2Z)-2-[(2,3-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2,3-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
PubChem CID11045217
Molecular FormulaC13H10Cl2N2OS
Molecular Weight313.21 g/mol
Exact Mass311.99
IUPAC Name(2Z)-2-[(2,3-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/c2cccc(Cl)c2Cl)N=C2SCCCN12
InChIInChI=1S/C13H10Cl2N2OS/c14-9-4-1-3-8(11(9)15)7-10-12(18)17-5-2-6-19-13(17)16-10/h1,3-4,7H,2,5-6H2/b10-7-
InChIKeyPBHQXZWCGJMABF-YFHOEESVSA-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

(5Z)-5-(3,4-dichlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one
CID 7204218
2-{[4-(3,4-dichlorobenzylidene)-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-pentylacetamide
CID 1820066
(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-[(2,4-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
CID 90667665
(5Z)-5-[(4-chlorophenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one
CID 5470558
(2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
CID 14950683
(2Z)-2-[(4-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
CID 14950684
(2Z)-2-[(2,6-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
CID 90667666
(5Z)-2-benzylsulfanyl-5-[(2-chlorophenyl)methylidene]-3-(2-methylpropyl)imidazol-4-one
CID 16203957
2-cinnamylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
CID 85291440

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,3-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The IUPAC name of (2Z)-2-[(2,3-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (CID 11045217) is (2Z)-2-[(2,3-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.
What is the SMILES notation for (2Z)-2-[(2,3-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The canonical SMILES for (2Z)-2-[(2,3-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is O=C1/C(=C/c2cccc(Cl)c2Cl)N=C2SCCCN12.
What is the InChIKey of (2Z)-2-[(2,3-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The InChIKey is PBHQXZWCGJMABF-YFHOEESVSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS/c14-9-4-1-3-8(11(9)15)7-10-12(18)17-5-2-6-19-13(17)16-10/h1,3-4,7H,2,5-6H2/b10-7-.
What are the key properties of (2Z)-2-[(2,3-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
(2Z)-2-[(2,3-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-[(2,3-dichlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is sourced from PubChem (CID 11045217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).