1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol

C24H14N2OS2 — CID 177484678

IUPAC1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol
SMILESOc1ccc2cc(-c3nc4ccccc4s3)ccc2c1-c1nc2ccccc2s1
InChIInChI=1S/C24H14N2OS2/c27-19-12-10-14-13-15(23-25-17-5-1-3-7-20(17)28-23)9-11-16(14)22(19)24-26-18-6-2-4-8-21(18)29-24/h1-13,27H
InChIKeyMZWSPXKAHVIACN-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.10
Rot. Bonds2

About 1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol

1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol (PubChem CID 177484678) has the molecular formula C24H14N2OS2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol
PubChem CID177484678
Molecular FormulaC24H14N2OS2
Molecular Weight410.52 g/mol
Exact Mass410.05
IUPAC Name1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol
SMILESOc1ccc2cc(-c3nc4ccccc4s3)ccc2c1-c1nc2ccccc2s1
InChIInChI=1S/C24H14N2OS2/c27-19-12-10-14-13-15(23-25-17-5-1-3-7-20(17)28-23)9-11-16(14)22(19)24-26-18-6-2-4-8-21(18)29-24/h1-13,27H
InChIKeyMZWSPXKAHVIACN-UHFFFAOYSA-N
XLogP7.10
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzothiazol-2-yl)benzene-1,2-diol
CID 3027254
2-[2-(1,3-benzothiazol-2-yl)anthracen-9-yl]quinolin-8-ol
CID 137052791
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
4-[[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-methylamino]-2-methoxyphenol
CID 142749800
2-[6-(4-pyridin-4-ylphenyl)naphthalen-2-yl]-1,3-benzothiazole
CID 171056370
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzothiazole
CID 134237425
5-(1,3-benzothiazol-2-yl)-2-methoxyphenol
CID 161368549
2-[3-[3-(4-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291468
4-[3-(1,3-benzothiazol-2-yl)-2-hydroxyphenyl]benzene-1,2-diol
CID 176656530
8-(1,3-benzothiazol-2-yl)-7-hydroxy-4-methylchromen-2-one
CID 136912374
2-[4-[6-[6-(2,3,4,5,6-pentafluorophenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850313
2-N,7-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-2-N,7-N-dinaphthalen-2-ylphenanthrene-2,7-diamine
CID 170266652

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol?
The IUPAC name of 1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol (CID 177484678) is 1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol.
What is the SMILES notation for 1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol?
The canonical SMILES for 1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol is Oc1ccc2cc(-c3nc4ccccc4s3)ccc2c1-c1nc2ccccc2s1.
What is the InChIKey of 1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol?
The InChIKey is MZWSPXKAHVIACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2OS2/c27-19-12-10-14-13-15(23-25-17-5-1-3-7-20(17)28-23)9-11-16(14)22(19)24-26-18-6-2-4-8-21(18)29-24/h1-13,27H.
What are the key properties of 1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol?
1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol has a molecular weight of 410.52 g/mol, XLogP of 7.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol is sourced from PubChem (CID 177484678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).