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

C12H9BrN2OS — CID 6449140

IUPAC(6E)-6-[(4-bromophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1/C(=C\c2ccc(Br)cc2)N=C2SCCN12
InChIInChI=1S/C12H9BrN2OS/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+
InChIKeyPOVSNMLHRUKQHN-JXMROGBWSA-N
MW309.19 g/mol
LogP2.73
Rot. Bonds1

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

(6E)-6-[(4-bromophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (PubChem CID 6449140) has the molecular formula C12H9BrN2OS and a molecular weight of 309.19 g/mol. Its IUPAC name is (6E)-6-[(4-bromophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.

Molecular Properties

Compound Name(6E)-6-[(4-bromophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
PubChem CID6449140
Molecular FormulaC12H9BrN2OS
Molecular Weight309.19 g/mol
Exact Mass307.96
IUPAC Name(6E)-6-[(4-bromophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1/C(=C\c2ccc(Br)cc2)N=C2SCCN12
InChIInChI=1S/C12H9BrN2OS/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+
InChIKeyPOVSNMLHRUKQHN-JXMROGBWSA-N
XLogP2.73
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 52.73
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 (6E)-6-[(4-bromophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The IUPAC name of (6E)-6-[(4-bromophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (CID 6449140) is (6E)-6-[(4-bromophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.
What is the SMILES notation for (6E)-6-[(4-bromophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The canonical SMILES for (6E)-6-[(4-bromophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is O=C1/C(=C\c2ccc(Br)cc2)N=C2SCCN12.
What is the InChIKey of (6E)-6-[(4-bromophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The InChIKey is POVSNMLHRUKQHN-JXMROGBWSA-N. The full InChI is InChI=1S/C12H9BrN2OS/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-bromophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
(6E)-6-[(4-bromophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one has a molecular weight of 309.19 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(4-bromophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is sourced from PubChem (CID 6449140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).