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

C14H10FNO2S — CID 136751643

IUPAC3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol
SMILESCOc1ccc2nc(-c3ccc(O)cc3F)sc2c1
InChIInChI=1S/C14H10FNO2S/c1-18-9-3-5-12-13(7-9)19-14(16-12)10-4-2-8(17)6-11(10)15/h2-7,17H,1H3
InChIKeyRLXGKYXOHHCGBD-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.82
Rot. Bonds2

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

3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol (PubChem CID 136751643) has the molecular formula C14H10FNO2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol
PubChem CID136751643
Molecular FormulaC14H10FNO2S
Molecular Weight275.30 g/mol
Exact Mass275.04
IUPAC Name3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol
SMILESCOc1ccc2nc(-c3ccc(O)cc3F)sc2c1
InChIInChI=1S/C14H10FNO2S/c1-18-9-3-5-12-13(7-9)19-14(16-12)10-4-2-8(17)6-11(10)15/h2-7,17H,1H3
InChIKeyRLXGKYXOHHCGBD-UHFFFAOYSA-N
XLogP3.82
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79511099
3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol
CID 135610914
3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136789802
4-bromo-2-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79512202
4-(2,4-dimethoxyphenyl)-3-fluorophenol
CID 53219547
4-iodo-2-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79512098
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
4-bromo-3-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 115296481
3-hydroxy-2-(6-methoxy-1,3-benzothiazol-2-yl)inden-1-one
CID 135708267
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
2-(2-aminophenyl)-1,3-benzothiazol-6-ol
CID 149215571
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide
CID 118903042

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol (CID 136751643) is 3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol is COc1ccc2nc(-c3ccc(O)cc3F)sc2c1.
What is the InChIKey of 3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol?
The InChIKey is RLXGKYXOHHCGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2S/c1-18-9-3-5-12-13(7-9)19-14(16-12)10-4-2-8(17)6-11(10)15/h2-7,17H,1H3.
What are the key properties of 3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol?
3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol has a molecular weight of 275.30 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 136751643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).