(2Z)-2-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C21H18N2O4S — CID 126395019

About (2Z)-2-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 126395019) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is (2Z)-2-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

• Compound Name: (2Z)-2-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
• PubChem CID: 126395019
• Molecular Formula: C21H18N2O4S
• Molecular Weight: 394.45 g/mol
• Exact Mass: 394.10
• IUPAC Name: (2Z)-2-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
• SMILES: CCOc1cc2c(cc1/C=c1\sc3nc4cc(C)c(C)cc4n3c1=O)OCO2
• InChI: InChI=1S/C21H18N2O4S/c1-4-25-16-9-18-17(26-10-27-18)7-13(16)8-19-20(24)23-15-6-12(3)11(2)5-14(15)22-21(23)28-19/h5-9H,4,10H2,1-3H3/b19-8-
• InChIKey: FRCBDAYGFFRGRT-UWVJOHFNSA-N
• XLogP: 3.20
• TPSA: 62.06 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.45
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

The IUPAC name of (2Z)-2-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 126395019) is (2Z)-2-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

What is the SMILES notation for (2Z)-2-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

The canonical SMILES for (2Z)-2-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one is CCOc1cc2c(cc1/C=c1\sc3nc4cc(C)c(C)cc4n3c1=O)OCO2.

What is the InChIKey of (2Z)-2-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

The InChIKey is FRCBDAYGFFRGRT-UWVJOHFNSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-4-25-16-9-18-17(26-10-27-18)7-13(16)8-19-20(24)23-15-6-12(3)11(2)5-14(15)22-21(23)28-19/h5-9H,4,10H2,1-3H3/b19-8-.

What are the key properties of (2Z)-2-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

(2Z)-2-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 394.45 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 126395019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).