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

C14H7BrN2O2S — CID 6228590

IUPAC(2Z)-2-[(5-bromofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccc(Br)o2)sc2nc3ccccc3n12
InChIInChI=1S/C14H7BrN2O2S/c15-12-6-5-8(19-12)7-11-13(18)17-10-4-2-1-3-9(10)16-14(17)20-11/h1-7H/b11-7-
InChIKeyVBQPKEKUPMIUGO-XFFZJAGNSA-N
MW347.19 g/mol
LogP2.81
Rot. Bonds1

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

(2Z)-2-[(5-bromofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 6228590) has the molecular formula C14H7BrN2O2S and a molecular weight of 347.19 g/mol. Its IUPAC name is (2Z)-2-[(5-bromofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[(5-bromofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID6228590
Molecular FormulaC14H7BrN2O2S
Molecular Weight347.19 g/mol
Exact Mass345.94
IUPAC Name(2Z)-2-[(5-bromofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccc(Br)o2)sc2nc3ccccc3n12
InChIInChI=1S/C14H7BrN2O2S/c15-12-6-5-8(19-12)7-11-13(18)17-10-4-2-1-3-9(10)16-14(17)20-11/h1-7H/b11-7-
InChIKeyVBQPKEKUPMIUGO-XFFZJAGNSA-N
XLogP2.81
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5-bromofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[(5-bromofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 6228590) is (2Z)-2-[(5-bromofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[(5-bromofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[(5-bromofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1/c(=C/c2ccc(Br)o2)sc2nc3ccccc3n12.
What is the InChIKey of (2Z)-2-[(5-bromofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is VBQPKEKUPMIUGO-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H7BrN2O2S/c15-12-6-5-8(19-12)7-11-13(18)17-10-4-2-1-3-9(10)16-14(17)20-11/h1-7H/b11-7-.
What are the key properties of (2Z)-2-[(5-bromofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[(5-bromofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 347.19 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5-bromofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 6228590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).