5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione

C10H7BrN2O2S — CID 123767223

IUPAC5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2cccc(CBr)n2)S1
InChIInChI=1S/C10H7BrN2O2S/c11-5-7-3-1-2-6(12-7)4-8-9(14)13-10(15)16-8/h1-4H,5H2,(H,13,14,15)
InChIKeyLZHVIJBEJOMXBT-UHFFFAOYSA-N
MW299.15 g/mol
LogP2.30
Rot. Bonds2

About 5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione

5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 123767223) has the molecular formula C10H7BrN2O2S and a molecular weight of 299.15 g/mol. Its IUPAC name is 5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID123767223
Molecular FormulaC10H7BrN2O2S
Molecular Weight299.15 g/mol
Exact Mass297.94
IUPAC Name5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2cccc(CBr)n2)S1
InChIInChI=1S/C10H7BrN2O2S/c11-5-7-3-1-2-6(12-7)4-8-9(14)13-10(15)16-8/h1-4H,5H2,(H,13,14,15)
InChIKeyLZHVIJBEJOMXBT-UHFFFAOYSA-N
XLogP2.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[[6-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 54603528
(5E)-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87310791
(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1397819
(5Z)-5-[[2-(1-hydroxybutan-2-ylamino)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87310667
(5E)-5-[[2-(4-hydroxybutan-2-ylamino)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87310669
(5E)-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87310717
(5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 57489701
N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]furan-2-carboxamide
CID 123929624
5-[[2-[[4-[[6-(furan-3-yl)-2-pyridinyl]methylamino]cyclohexyl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 123979726
(5Z)-5-[(2-trimethylsilylfuro[3,2-b]pyridin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 87207747
5-[[2-[[4-[(2-pyridin-2-ylethylamino)methyl]cyclohexyl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 123563607
(5Z)-5-[[2-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87326189

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 123767223) is 5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(=Cc2cccc(CBr)n2)S1.
What is the InChIKey of 5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LZHVIJBEJOMXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2S/c11-5-7-3-1-2-6(12-7)4-8-9(14)13-10(15)16-8/h1-4H,5H2,(H,13,14,15).
What are the key properties of 5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione?
5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 299.15 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 123767223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).