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

C14H10FNO2S — CID 136789802

IUPAC3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol
SMILESCOc1ccc2nc(-c3c(O)cccc3F)sc2c1
InChIInChI=1S/C14H10FNO2S/c1-18-8-5-6-10-12(7-8)19-14(16-10)13-9(15)3-2-4-11(13)17/h2-7,17H,1H3
InChIKeyYWZIJMUOSFRBFZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.82
Rot. Bonds2

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

3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol (PubChem CID 136789802) has the molecular formula C14H10FNO2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol
PubChem CID136789802
Molecular FormulaC14H10FNO2S
Molecular Weight275.30 g/mol
Exact Mass275.04
IUPAC Name3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol
SMILESCOc1ccc2nc(-c3c(O)cccc3F)sc2c1
InChIInChI=1S/C14H10FNO2S/c1-18-8-5-6-10-12(7-8)19-14(16-10)13-9(15)3-2-4-11(13)17/h2-7,17H,1H3
InChIKeyYWZIJMUOSFRBFZ-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

3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136751643
2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol
CID 136813339
2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318
6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole
CID 25232186
2-(2-fluoro-6-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470295
2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol
CID 136789792
4-fluoro-3-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79511099
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
2-(2,6-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470349
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
3-hydroxy-2-(6-methoxy-1,3-benzothiazol-2-yl)inden-1-one
CID 135708267

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol (CID 136789802) is 3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol is COc1ccc2nc(-c3c(O)cccc3F)sc2c1.
What is the InChIKey of 3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol?
The InChIKey is YWZIJMUOSFRBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2S/c1-18-8-5-6-10-12(7-8)19-14(16-10)13-9(15)3-2-4-11(13)17/h2-7,17H,1H3.
What are the key properties of 3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol?
3-fluoro-2-(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-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 136789802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).