5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole

C13H9N3S — CID 66774546

IUPAC5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole
SMILESC(=Cc1ccccn1)c1ccc2nsnc2c1
InChIInChI=1S/C13H9N3S/c1-2-8-14-11(3-1)6-4-10-5-7-12-13(9-10)16-17-15-12/h1-9H
InChIKeyIVOSPBPENWAQPB-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.26
Rot. Bonds2

About 5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole

5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole (PubChem CID 66774546) has the molecular formula C13H9N3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole
PubChem CID66774546
Molecular FormulaC13H9N3S
Molecular Weight239.30 g/mol
Exact Mass239.05
IUPAC Name5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole
SMILESC(=Cc1ccccn1)c1ccc2nsnc2c1
InChIInChI=1S/C13H9N3S/c1-2-8-14-11(3-1)6-4-10-5-7-12-13(9-10)16-17-15-12/h1-9H
InChIKeyIVOSPBPENWAQPB-UHFFFAOYSA-N
XLogP3.26
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
2-[2-(4-phenylphenyl)ethenyl]pyridine
CID 66775790
2-[2-[2-(2-phenylethenyl)phenyl]ethenyl]pyridine
CID 154926324
4-(2-pyridin-2-ylethenyl)phenol
CID 4736878
2-[(E)-2-(3-methylphenyl)ethenyl]pyridine
CID 5463079
2-(2-phenylethenyl)pyridine;pyridine
CID 174553806
3-(2-pyridin-2-ylethenyl)quinoline
CID 66775242
3-[(E)-2-pyridin-2-ylethenyl]benzonitrile
CID 18763276
N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine
CID 18093346
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
2-(2-phenylethenyl)pyridine isocyanate
CID 86740696

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole?
The IUPAC name of 5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole (CID 66774546) is 5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole.
What is the SMILES notation for 5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole?
The canonical SMILES for 5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole is C(=Cc1ccccn1)c1ccc2nsnc2c1.
What is the InChIKey of 5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole?
The InChIKey is IVOSPBPENWAQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3S/c1-2-8-14-11(3-1)6-4-10-5-7-12-13(9-10)16-17-15-12/h1-9H.
What are the key properties of 5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole?
5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole has a molecular weight of 239.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-2-ylethenyl)-2,1,3-benzothiadiazole is sourced from PubChem (CID 66774546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).