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

C13H11ClN2OS — CID 1281702

IUPAC(2Z)-2-[(2-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/c2ccccc2Cl)N=C2SCCCN12
InChIInChI=1S/C13H11ClN2OS/c14-10-5-2-1-4-9(10)8-11-12(17)16-6-3-7-18-13(16)15-11/h1-2,4-5,8H,3,6-7H2/b11-8-
InChIKeyQIOSBVONOYJYHD-FLIBITNWSA-N
MW278.76 g/mol
LogP3.02
Rot. Bonds1

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

(2Z)-2-[(2-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (PubChem CID 1281702) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is (2Z)-2-[(2-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
PubChem CID1281702
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name(2Z)-2-[(2-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/c2ccccc2Cl)N=C2SCCCN12
InChIInChI=1S/C13H11ClN2OS/c14-10-5-2-1-4-9(10)8-11-12(17)16-6-3-7-18-13(16)15-11/h1-2,4-5,8H,3,6-7H2/b11-8-
InChIKeyQIOSBVONOYJYHD-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

4-(2-chlorobenzylidene)-1-(dimethylamino)-2-(methylthio)-4,5-dihydro-1H-imidazol-5-one
CID 6148845
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-Chlorobenzyl)sulfanyl)-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 1486638
2-{[1-allyl-4-(4-chlorobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-propylacetamide
CID 1820077
1-[2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4612415
1-(2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)propan-1-one
CID 4440197
2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-3-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7197578
Disubstituted aryl-Me ATX inhibitor 2
CID 2261002
Monosubstituted aryl-Me ATX inhibitor 4
CID 72836852
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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The IUPAC name of (2Z)-2-[(2-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (CID 1281702) is (2Z)-2-[(2-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.
What is the SMILES notation for (2Z)-2-[(2-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The canonical SMILES for (2Z)-2-[(2-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is O=C1/C(=C/c2ccccc2Cl)N=C2SCCCN12.
What is the InChIKey of (2Z)-2-[(2-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The InChIKey is QIOSBVONOYJYHD-FLIBITNWSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c14-10-5-2-1-4-9(10)8-11-12(17)16-6-3-7-18-13(16)15-11/h1-2,4-5,8H,3,6-7H2/b11-8-.
What are the key properties of (2Z)-2-[(2-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
(2Z)-2-[(2-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-[(2-chlorophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is sourced from PubChem (CID 1281702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).