(5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one

C11H9ClN4OS2 — CID 2538522

IUPAC(5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C\c2c(Cl)nc3sccn23)N(C)C1=S
InChIInChI=1S/C11H9ClN4OS2/c1-14-7(9(17)15(2)11(14)18)5-6-8(12)13-10-16(6)3-4-19-10/h3-5H,1-2H3/b7-5+
InChIKeyKFTUJXFWPOWMLR-FNORWQNLSA-N
MW312.81 g/mol
LogP2.08
Rot. Bonds1

About (5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 2538522) has the molecular formula C11H9ClN4OS2 and a molecular weight of 312.81 g/mol. Its IUPAC name is (5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID2538522
Molecular FormulaC11H9ClN4OS2
Molecular Weight312.81 g/mol
Exact Mass311.99
IUPAC Name(5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C\c2c(Cl)nc3sccn23)N(C)C1=S
InChIInChI=1S/C11H9ClN4OS2/c1-14-7(9(17)15(2)11(14)18)5-6-8(12)13-10-16(6)3-4-19-10/h3-5H,1-2H3/b7-5+
InChIKeyKFTUJXFWPOWMLR-FNORWQNLSA-N
XLogP2.08
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.81
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one (CID 2538522) is (5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is CN1C(=O)/C(=C\c2c(Cl)nc3sccn23)N(C)C1=S.
What is the InChIKey of (5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is KFTUJXFWPOWMLR-FNORWQNLSA-N. The full InChI is InChI=1S/C11H9ClN4OS2/c1-14-7(9(17)15(2)11(14)18)5-6-8(12)13-10-16(6)3-4-19-10/h3-5H,1-2H3/b7-5+.
What are the key properties of (5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 312.81 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2538522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).