2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol

C23H14FNOS — CID 138712220

IUPAC2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2c(-c3cccc4ccccc34)cc(F)cc2s1
InChIInChI=1S/C23H14FNOS/c24-15-12-19(17-10-5-7-14-6-1-2-8-16(14)17)22-21(13-15)27-23(25-22)18-9-3-4-11-20(18)26/h1-13,26H
InChIKeyHVDXMLXDHNWRTR-UHFFFAOYSA-N
MW371.44 g/mol
LogP6.63
Rot. Bonds2

About 2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol

2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol (PubChem CID 138712220) has the molecular formula C23H14FNOS and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol
PubChem CID138712220
Molecular FormulaC23H14FNOS
Molecular Weight371.44 g/mol
Exact Mass371.08
IUPAC Name2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2c(-c3cccc4ccccc34)cc(F)cc2s1
InChIInChI=1S/C23H14FNOS/c24-15-12-19(17-10-5-7-14-6-1-2-8-16(14)17)22-21(13-15)27-23(25-22)18-9-3-4-11-20(18)26/h1-13,26H
InChIKeyHVDXMLXDHNWRTR-UHFFFAOYSA-N
XLogP6.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol (CID 138712220) is 2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol is Oc1ccccc1-c1nc2c(-c3cccc4ccccc34)cc(F)cc2s1.
What is the InChIKey of 2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol?
The InChIKey is HVDXMLXDHNWRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FNOS/c24-15-12-19(17-10-5-7-14-6-1-2-8-16(14)17)22-21(13-15)27-23(25-22)18-9-3-4-11-20(18)26/h1-13,26H.
What are the key properties of 2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol?
2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol has a molecular weight of 371.44 g/mol, XLogP of 6.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-naphthalen-1-yl-1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 138712220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).