3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole

C16H10N4OS — CID 126749760

IUPAC3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2cccc3c2nc2sc4ccccc4n23)no1
InChIInChI=1S/C16H10N4OS/c1-9-17-15(19-21-9)10-5-4-7-12-14(10)18-16-20(12)11-6-2-3-8-13(11)22-16/h2-8H,1H3
InChIKeyFQMDZPYUSPDAPA-UHFFFAOYSA-N
MW306.35 g/mol
LogP4.06
Rot. Bonds1

About 3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole

3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole (PubChem CID 126749760) has the molecular formula C16H10N4OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole
PubChem CID126749760
Molecular FormulaC16H10N4OS
Molecular Weight306.35 g/mol
Exact Mass306.06
IUPAC Name3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2cccc3c2nc2sc4ccccc4n23)no1
InChIInChI=1S/C16H10N4OS/c1-9-17-15(19-21-9)10-5-4-7-12-14(10)18-16-20(12)11-6-2-3-8-13(11)22-16/h2-8H,1H3
InChIKeyFQMDZPYUSPDAPA-UHFFFAOYSA-N
XLogP4.06
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole (CID 126749760) is 3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2cccc3c2nc2sc4ccccc4n23)no1.
What is the InChIKey of 3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is FQMDZPYUSPDAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4OS/c1-9-17-15(19-21-9)10-5-4-7-12-14(10)18-16-20(12)11-6-2-3-8-13(11)22-16/h2-8H,1H3.
What are the key properties of 3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole?
3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 306.35 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 126749760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).