2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol

C12H13FN2O2S — CID 105084474

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol
SMILESCOc1ccc(CC(O)c2snnc2C)cc1F
InChIInChI=1S/C12H13FN2O2S/c1-7-12(18-15-14-7)10(16)6-8-3-4-11(17-2)9(13)5-8/h3-5,10,16H,6H2,1-2H3
InChIKeyUYGAJJJRFHDLTP-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.27
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol

2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol (PubChem CID 105084474) has the molecular formula C12H13FN2O2S and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol
PubChem CID105084474
Molecular FormulaC12H13FN2O2S
Molecular Weight268.31 g/mol
Exact Mass268.07
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol
SMILESCOc1ccc(CC(O)c2snnc2C)cc1F
InChIInChI=1S/C12H13FN2O2S/c1-7-12(18-15-14-7)10(16)6-8-3-4-11(17-2)9(13)5-8/h3-5,10,16H,6H2,1-2H3
InChIKeyUYGAJJJRFHDLTP-UHFFFAOYSA-N
XLogP2.27
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 105084537
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084519
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol
CID 105084500
2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 107891535
1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084452
1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782163
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105121858
2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol
CID 55096330
1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 115782389
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol (CID 105084474) is 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol is COc1ccc(CC(O)c2snnc2C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol?
The InChIKey is UYGAJJJRFHDLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S/c1-7-12(18-15-14-7)10(16)6-8-3-4-11(17-2)9(13)5-8/h3-5,10,16H,6H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol?
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol has a molecular weight of 268.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105084474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).