4-(1,3-benzothiazol-2-yl)oxadiazole

C9H5N3OS — CID 68714459

IUPAC4-(1,3-benzothiazol-2-yl)oxadiazole
SMILESc1ccc2sc(-c3conn3)nc2c1
InChIInChI=1S/C9H5N3OS/c1-2-4-8-6(3-1)10-9(14-8)7-5-13-12-11-7/h1-5H
InChIKeyDKWBVWZYAWBSEW-UHFFFAOYSA-N
MW203.23 g/mol
LogP2.35
Rot. Bonds1

About 4-(1,3-benzothiazol-2-yl)oxadiazole

4-(1,3-benzothiazol-2-yl)oxadiazole (PubChem CID 68714459) has the molecular formula C9H5N3OS and a molecular weight of 203.23 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)oxadiazole.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)oxadiazole
PubChem CID68714459
Molecular FormulaC9H5N3OS
Molecular Weight203.23 g/mol
Exact Mass203.02
IUPAC Name4-(1,3-benzothiazol-2-yl)oxadiazole
SMILESc1ccc2sc(-c3conn3)nc2c1
InChIInChI=1S/C9H5N3OS/c1-2-4-8-6(3-1)10-9(14-8)7-5-13-12-11-7/h1-5H
InChIKeyDKWBVWZYAWBSEW-UHFFFAOYSA-N
XLogP2.35
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
[6-(1,3-benzothiazol-2-yl)pyridazin-3-yl]hydrazine
CID 62783694
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
4-quinolin-2-yloxadiazole
CID 18990797
dizinc;tetrakis(2-(1,3-benzothiazol-2-yl)phenolate)
CID 139119825
2-(2-methylfuran-3-yl)-1,3-benzothiazole
CID 3264944
2-[4-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzothiazole
CID 58995434
2-[3-(1,3-benzothiazol-2-yl)-5-bromophenyl]-1,3-benzothiazole
CID 139449990
[2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane
CID 170680401
2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole
CID 132941987
4-(1,3-benzothiazol-2-yl)benzamide
CID 28689293
2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole
CID 174795692

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)oxadiazole?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)oxadiazole (CID 68714459) is 4-(1,3-benzothiazol-2-yl)oxadiazole.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)oxadiazole?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)oxadiazole is c1ccc2sc(-c3conn3)nc2c1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)oxadiazole?
The InChIKey is DKWBVWZYAWBSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3OS/c1-2-4-8-6(3-1)10-9(14-8)7-5-13-12-11-7/h1-5H.
What are the key properties of 4-(1,3-benzothiazol-2-yl)oxadiazole?
4-(1,3-benzothiazol-2-yl)oxadiazole has a molecular weight of 203.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)oxadiazole is sourced from PubChem (CID 68714459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).