5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole

C17H11N3S — CID 134164829

IUPAC5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole
SMILESc1ccc(-c2cc(-c3ccc4nsnc4c3)ccn2)cc1
InChIInChI=1S/C17H11N3S/c1-2-4-12(5-3-1)16-10-14(8-9-18-16)13-6-7-15-17(11-13)20-21-19-15/h1-11H
InChIKeyNDWZLBHYLWDVLX-UHFFFAOYSA-N
MW289.36 g/mol
LogP4.42
Rot. Bonds2

About 5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole

5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole (PubChem CID 134164829) has the molecular formula C17H11N3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole
PubChem CID134164829
Molecular FormulaC17H11N3S
Molecular Weight289.36 g/mol
Exact Mass289.07
IUPAC Name5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole
SMILESc1ccc(-c2cc(-c3ccc4nsnc4c3)ccn2)cc1
InChIInChI=1S/C17H11N3S/c1-2-4-12(5-3-1)16-10-14(8-9-18-16)13-6-7-15-17(11-13)20-21-19-15/h1-11H
InChIKeyNDWZLBHYLWDVLX-UHFFFAOYSA-N
XLogP4.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2,1,3-benzothiadiazole;5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157076612
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
4-(9,10-diphenylanthracen-2-yl)-2-phenylpyridine
CID 59722046
2-(4-phenylphenyl)-4-(4-propan-2-ylphenyl)pyridine
CID 140599873
2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine
CID 88908907
4-(1,3-benzodioxol-5-yl)-2-phenylpyridine
CID 11623230
4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine
CID 140831627
2-(2-phenyl-4-pyridinyl)pyrazine
CID 58421040
4-(3-methylphenyl)-2-(4-methylphenyl)pyridine
CID 118345294

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole?
The IUPAC name of 5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole (CID 134164829) is 5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole.
What is the SMILES notation for 5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole?
The canonical SMILES for 5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole is c1ccc(-c2cc(-c3ccc4nsnc4c3)ccn2)cc1.
What is the InChIKey of 5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole?
The InChIKey is NDWZLBHYLWDVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3S/c1-2-4-12(5-3-1)16-10-14(8-9-18-16)13-6-7-15-17(11-13)20-21-19-15/h1-11H.
What are the key properties of 5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole?
5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole has a molecular weight of 289.36 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenyl-4-pyridinyl)-2,1,3-benzothiadiazole is sourced from PubChem (CID 134164829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).