2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol

C11H12N2OS — CID 105078109

IUPAC2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol
SMILESCc1ccccc1CC(O)c1cnns1
InChIInChI=1S/C11H12N2OS/c1-8-4-2-3-5-9(8)6-10(14)11-7-12-13-15-11/h2-5,7,10,14H,6H2,1H3
InChIKeyROQMJGQYNVLFEU-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.12
Rot. Bonds3

About 2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol

2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol (PubChem CID 105078109) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol
PubChem CID105078109
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol
SMILESCc1ccccc1CC(O)c1cnns1
InChIInChI=1S/C11H12N2OS/c1-8-4-2-3-5-9(8)6-10(14)11-7-12-13-15-11/h2-5,7,10,14H,6H2,1H3
InChIKeyROQMJGQYNVLFEU-UHFFFAOYSA-N
XLogP2.12
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084249
2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105086943
2-(2-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105087930
1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078091
2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105117676
2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105121099
1,2-bis(2-methylphenyl)ethanol
CID 60798292
1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078113
2-(2-methylphenyl)-1-pyridin-4-ylethanol
CID 60797615
2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanone
CID 105079486
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686363
2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105101119

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol?
The IUPAC name of 2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol (CID 105078109) is 2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol is Cc1ccccc1CC(O)c1cnns1.
What is the InChIKey of 2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol?
The InChIKey is ROQMJGQYNVLFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-4-2-3-5-9(8)6-10(14)11-7-12-13-15-11/h2-5,7,10,14H,6H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol?
2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol has a molecular weight of 220.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol is sourced from PubChem (CID 105078109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).