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

C16H10N4OS — CID 126749759

IUPAC5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2cccc3c2sc2nc4ccccc4n23)n1
InChIInChI=1S/C16H10N4OS/c1-9-17-15(21-19-9)10-5-4-8-13-14(10)22-16-18-11-6-2-3-7-12(11)20(13)16/h2-8H,1H3
InChIKeyPMQCPPRMDOLHCF-UHFFFAOYSA-N
MW306.35 g/mol
LogP4.06
Rot. Bonds1

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

5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 126749759) has the molecular formula C16H10N4OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID126749759
Molecular FormulaC16H10N4OS
Molecular Weight306.35 g/mol
Exact Mass306.06
IUPAC Name5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2cccc3c2sc2nc4ccccc4n23)n1
InChIInChI=1S/C16H10N4OS/c1-9-17-15(21-19-9)10-5-4-8-13-14(10)22-16-18-11-6-2-3-7-12(11)20(13)16/h2-8H,1H3
InChIKeyPMQCPPRMDOLHCF-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 5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-methyl-1,2,4-oxadiazole (CID 126749759) is 5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2cccc3c2sc2nc4ccccc4n23)n1.
What is the InChIKey of 5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is PMQCPPRMDOLHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4OS/c1-9-17-15(21-19-9)10-5-4-8-13-14(10)22-16-18-11-6-2-3-7-12(11)20(13)16/h2-8H,1H3.
What are the key properties of 5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-methyl-1,2,4-oxadiazole?
5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-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 5-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 126749759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).