2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole

C23H15N3S — CID 58480092

IUPAC2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole
SMILESc1cncc(-c2cc(-c3cccnc3)cc(-c3nc4ccccc4s3)c2)c1
InChIInChI=1S/C23H15N3S/c1-2-8-22-21(7-1)26-23(27-22)20-12-18(16-5-3-9-24-14-16)11-19(13-20)17-6-4-10-25-15-17/h1-15H
InChIKeyJCSPSBSJCKQERL-UHFFFAOYSA-N
MW365.46 g/mol
LogP6.09
Rot. Bonds3

About 2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole

2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole (PubChem CID 58480092) has the molecular formula C23H15N3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole
PubChem CID58480092
Molecular FormulaC23H15N3S
Molecular Weight365.46 g/mol
Exact Mass365.10
IUPAC Name2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole
SMILESc1cncc(-c2cc(-c3cccnc3)cc(-c3nc4ccccc4s3)c2)c1
InChIInChI=1S/C23H15N3S/c1-2-8-22-21(7-1)26-23(27-22)20-12-18(16-5-3-9-24-14-16)11-19(13-20)17-6-4-10-25-15-17/h1-15H
InChIKeyJCSPSBSJCKQERL-UHFFFAOYSA-N
XLogP6.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.46
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2,4-dipyridin-3-yl-6-(3-pyridin-3-ylphenyl)phenyl]phenyl]-1,3-benzothiazole
CID 58480046
2-[3-(1,3-benzothiazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzothiazole
CID 176740300
2-[3-(1,3-benzothiazol-2-yl)-5-bromophenyl]-1,3-benzothiazole
CID 139449990
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
6-pyridin-2-yl-2-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridine
CID 121378342
2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole
CID 129257154
2-[6-(4-pyridin-4-ylphenyl)naphthalen-2-yl]-1,3-benzothiazole
CID 171056370
3-(3,5-diphenylphenyl)pyridine
CID 141411458
4-(3,5-dipyridin-3-ylphenyl)-2,6-diphenylpyridine
CID 58518535
2-[4-[3-(3-fluorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 171056559
2-[3-[3-(4-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291468
2-[3-[10-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 155788382

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole?
The IUPAC name of 2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole (CID 58480092) is 2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole?
The canonical SMILES for 2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole is c1cncc(-c2cc(-c3cccnc3)cc(-c3nc4ccccc4s3)c2)c1.
What is the InChIKey of 2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole?
The InChIKey is JCSPSBSJCKQERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3S/c1-2-8-22-21(7-1)26-23(27-22)20-12-18(16-5-3-9-24-14-16)11-19(13-20)17-6-4-10-25-15-17/h1-15H.
What are the key properties of 2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole?
2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole has a molecular weight of 365.46 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dipyridin-3-ylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 58480092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).