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

C16H10N4OS — CID 126749758

IUPAC2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cccc3c2sc2nc4ccccc4n23)o1
InChIInChI=1S/C16H10N4OS/c1-9-18-19-15(21-9)10-5-4-8-13-14(10)22-16-17-11-6-2-3-7-12(11)20(13)16/h2-8H,1H3
InChIKeySGCRPKDZMZZGFA-UHFFFAOYSA-N
MW306.35 g/mol
LogP4.06
Rot. Bonds1

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

2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-methyl-1,3,4-oxadiazole (PubChem CID 126749758) has the molecular formula C16H10N4OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-methyl-1,3,4-oxadiazole
PubChem CID126749758
Molecular FormulaC16H10N4OS
Molecular Weight306.35 g/mol
Exact Mass306.06
IUPAC Name2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cccc3c2sc2nc4ccccc4n23)o1
InChIInChI=1S/C16H10N4OS/c1-9-18-19-15(21-9)10-5-4-8-13-14(10)22-16-17-11-6-2-3-7-12(11)20(13)16/h2-8H,1H3
InChIKeySGCRPKDZMZZGFA-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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-methyl-1,3,4-oxadiazole (CID 126749758) is 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2cccc3c2sc2nc4ccccc4n23)o1.
What is the InChIKey of 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is SGCRPKDZMZZGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4OS/c1-9-18-19-15(21-9)10-5-4-8-13-14(10)22-16-17-11-6-2-3-7-12(11)20(13)16/h2-8H,1H3.
What are the key properties of 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-methyl-1,3,4-oxadiazole?
2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-methyl-1,3,4-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 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 126749758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).