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

C12H9N3O3S — CID 6449137

IUPAC(6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1/C(=C\c2cccc([N+](=O)[O-])c2)N=C2SCCN12
InChIInChI=1S/C12H9N3O3S/c16-11-10(13-12-14(11)4-5-19-12)7-8-2-1-3-9(6-8)15(17)18/h1-3,6-7H,4-5H2/b10-7+
InChIKeyPCDLCAYOTKHGDA-JXMROGBWSA-N
MW275.29 g/mol
LogP1.88
Rot. Bonds2

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

(6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (PubChem CID 6449137) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is (6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.

Molecular Properties

Compound Name(6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
PubChem CID6449137
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC Name(6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1/C(=C\c2cccc([N+](=O)[O-])c2)N=C2SCCN12
InChIInChI=1S/C12H9N3O3S/c16-11-10(13-12-14(11)4-5-19-12)7-8-2-1-3-9(6-8)15(17)18/h1-3,6-7H,4-5H2/b10-7+
InChIKeyPCDLCAYOTKHGDA-JXMROGBWSA-N
XLogP1.88
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The IUPAC name of (6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (CID 6449137) is (6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.
What is the SMILES notation for (6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The canonical SMILES for (6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is O=C1/C(=C\c2cccc([N+](=O)[O-])c2)N=C2SCCN12.
What is the InChIKey of (6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The InChIKey is PCDLCAYOTKHGDA-JXMROGBWSA-N. The full InChI is InChI=1S/C12H9N3O3S/c16-11-10(13-12-14(11)4-5-19-12)7-8-2-1-3-9(6-8)15(17)18/h1-3,6-7H,4-5H2/b10-7+.
What are the key properties of (6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
(6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one has a molecular weight of 275.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(3-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is sourced from PubChem (CID 6449137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).