2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole

C24H14N4OS — CID 56943829

IUPAC2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)nc4)cn3)nc2c1
InChIInChI=1S/C24H14N4OS/c1-3-7-21-17(5-1)27-23(29-21)19-11-9-15(13-25-19)16-10-12-20(26-14-16)24-28-18-6-2-4-8-22(18)30-24/h1-14H
InChIKeyDDNXPVQVLMIZOR-UHFFFAOYSA-N
MW406.47 g/mol
LogP6.23
Rot. Bonds3

About 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole

2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole (PubChem CID 56943829) has the molecular formula C24H14N4OS and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole
PubChem CID56943829
Molecular FormulaC24H14N4OS
Molecular Weight406.47 g/mol
Exact Mass406.09
IUPAC Name2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)nc4)cn3)nc2c1
InChIInChI=1S/C24H14N4OS/c1-3-7-21-17(5-1)27-23(29-21)19-11-9-15(13-25-19)16-10-12-20(26-14-16)24-28-18-6-2-4-8-22(18)30-24/h1-14H
InChIKeyDDNXPVQVLMIZOR-UHFFFAOYSA-N
XLogP6.23
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.47
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole
CID 169047262
2-[4-[3-(1,3-benzothiazol-2-yl)-5-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 167017597
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 70830037
2-(2-quinolin-2-yl-1,3-benzothiazol-5-yl)-1,3-benzoxazole
CID 123231503
6-(1,3-benzoxazol-2-yl)pyridin-3-ol
CID 136776961
tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);zinc
CID 160581752
5-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]furan-2-amine
CID 166648456
2-[4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-6-(4-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 168844879
2-[2-(1,2-benzoxazol-6-yl)-1,3-benzothiazol-6-yl]-1,3-benzoxazole
CID 149489817
4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]aniline
CID 176651706
2-[5-[5-[6-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3,4-diphenylthiophen-2-yl]-2-pyridinyl]-1,3-benzothiazole
CID 23432473
2-[2-(3H-benzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1,3-benzoxazole
CID 123750067

Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole?
The IUPAC name of 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole (CID 56943829) is 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole?
The canonical SMILES for 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole is c1ccc2oc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)nc4)cn3)nc2c1.
What is the InChIKey of 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole?
The InChIKey is DDNXPVQVLMIZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4OS/c1-3-7-21-17(5-1)27-23(29-21)19-11-9-15(13-25-19)16-10-12-20(26-14-16)24-28-18-6-2-4-8-22(18)30-24/h1-14H.
What are the key properties of 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole?
2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole has a molecular weight of 406.47 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole is sourced from PubChem (CID 56943829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).