2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol

C14H8N4O2S — CID 136877148

IUPAC2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccccc1-c1nnc(-c2ccc3nsnc3c2)o1
InChIInChI=1S/C14H8N4O2S/c19-12-4-2-1-3-9(12)14-16-15-13(20-14)8-5-6-10-11(7-8)18-21-17-10/h1-7,19H
InChIKeyFSDSBQYLRWFULZ-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.11
Rot. Bonds2

About 2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol

2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 136877148) has the molecular formula C14H8N4O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID136877148
Molecular FormulaC14H8N4O2S
Molecular Weight296.31 g/mol
Exact Mass296.04
IUPAC Name2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccccc1-c1nnc(-c2ccc3nsnc3c2)o1
InChIInChI=1S/C14H8N4O2S/c19-12-4-2-1-3-9(12)14-16-15-13(20-14)8-5-6-10-11(7-8)18-21-17-10/h1-7,19H
InChIKeyFSDSBQYLRWFULZ-UHFFFAOYSA-N
XLogP3.11
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol (CID 136877148) is 2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol is Oc1ccccc1-c1nnc(-c2ccc3nsnc3c2)o1.
What is the InChIKey of 2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is FSDSBQYLRWFULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O2S/c19-12-4-2-1-3-9(12)14-16-15-13(20-14)8-5-6-10-11(7-8)18-21-17-10/h1-7,19H.
What are the key properties of 2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol?
2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 296.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,1,3-benzothiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 136877148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).