(2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C20H12N2O2S2 — CID 1365914

IUPAC(2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccc(Sc3ccccc3)o2)sc2nc3ccccc3n12
InChIInChI=1S/C20H12N2O2S2/c23-19-17(26-20-21-15-8-4-5-9-16(15)22(19)20)12-13-10-11-18(24-13)25-14-6-2-1-3-7-14/h1-12H/b17-12-
InChIKeyZGZXLCMZVGVPKY-ATVHPVEESA-N
MW376.46 g/mol
LogP4.20
Rot. Bonds3

About (2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 1365914) has the molecular formula C20H12N2O2S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID1365914
Molecular FormulaC20H12N2O2S2
Molecular Weight376.46 g/mol
Exact Mass376.03
IUPAC Name(2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccc(Sc3ccccc3)o2)sc2nc3ccccc3n12
InChIInChI=1S/C20H12N2O2S2/c23-19-17(26-20-21-15-8-4-5-9-16(15)22(19)20)12-13-10-11-18(24-13)25-14-6-2-1-3-7-14/h1-12H/b17-12-
InChIKeyZGZXLCMZVGVPKY-ATVHPVEESA-N
XLogP4.20
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 1365914) is (2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1/c(=C/c2ccc(Sc3ccccc3)o2)sc2nc3ccccc3n12.
What is the InChIKey of (2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is ZGZXLCMZVGVPKY-ATVHPVEESA-N. The full InChI is InChI=1S/C20H12N2O2S2/c23-19-17(26-20-21-15-8-4-5-9-16(15)22(19)20)12-13-10-11-18(24-13)25-14-6-2-1-3-7-14/h1-12H/b17-12-.
What are the key properties of (2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 376.46 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 1365914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).