(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one

C12H8Cl2N2OS — CID 851058

IUPAC(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one
SMILESO=C1N=C2SCCN2/C1=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C12H8Cl2N2OS/c13-8-2-1-3-9(14)7(8)6-10-11(17)15-12-16(10)4-5-18-12/h1-3,6H,4-5H2/b10-6-
InChIKeyNGDAURFCZOIWTB-POHAHGRESA-N
MW299.18 g/mol
LogP3.28
Rot. Bonds1

About (5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one

(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one (PubChem CID 851058) has the molecular formula C12H8Cl2N2OS and a molecular weight of 299.18 g/mol. Its IUPAC name is (5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one
PubChem CID851058
Molecular FormulaC12H8Cl2N2OS
Molecular Weight299.18 g/mol
Exact Mass297.97
IUPAC Name(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one
SMILESO=C1N=C2SCCN2/C1=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C12H8Cl2N2OS/c13-8-2-1-3-9(14)7(8)6-10-11(17)15-12-16(10)4-5-18-12/h1-3,6H,4-5H2/b10-6-
InChIKeyNGDAURFCZOIWTB-POHAHGRESA-N
XLogP3.28
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
The IUPAC name of (5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one (CID 851058) is (5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one.
What is the SMILES notation for (5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
The canonical SMILES for (5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one is O=C1N=C2SCCN2/C1=C\c1c(Cl)cccc1Cl.
What is the InChIKey of (5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
The InChIKey is NGDAURFCZOIWTB-POHAHGRESA-N. The full InChI is InChI=1S/C12H8Cl2N2OS/c13-8-2-1-3-9(14)7(8)6-10-11(17)15-12-16(10)4-5-18-12/h1-3,6H,4-5H2/b10-6-.
What are the key properties of (5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one has a molecular weight of 299.18 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one is sourced from PubChem (CID 851058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).