1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol

C13H16N2OS — CID 105078091

IUPAC1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
SMILESCCc1nnsc1C(O)Cc1ccccc1C
InChIInChI=1S/C13H16N2OS/c1-3-11-13(17-15-14-11)12(16)8-10-7-5-4-6-9(10)2/h4-7,12,16H,3,8H2,1-2H3
InChIKeyZCEZDJGKGWOPKW-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.69
Rot. Bonds4

About 1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol

1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol (PubChem CID 105078091) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
PubChem CID105078091
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
SMILESCCc1nnsc1C(O)Cc1ccccc1C
InChIInChI=1S/C13H16N2OS/c1-3-11-13(17-15-14-11)12(16)8-10-7-5-4-6-9(10)2/h4-7,12,16H,3,8H2,1-2H3
InChIKeyZCEZDJGKGWOPKW-UHFFFAOYSA-N
XLogP2.69
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078113
1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol
CID 105077964
2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105087909
2-(4-chlorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105076672
1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol
CID 105101035
1-(4-ethylthiadiazol-5-yl)-2-(furan-2-yl)ethanol
CID 105122955
2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105131314
2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol
CID 105078109
1-(4-ethylthiadiazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 105117650
2-(5-chloro-2-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105089389
1-(4-ethylthiadiazol-5-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 105110978
[2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine
CID 105285141

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol (CID 105078091) is 1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol is CCc1nnsc1C(O)Cc1ccccc1C.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol?
The InChIKey is ZCEZDJGKGWOPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-11-13(17-15-14-11)12(16)8-10-7-5-4-6-9(10)2/h4-7,12,16H,3,8H2,1-2H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol?
1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol has a molecular weight of 248.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol is sourced from PubChem (CID 105078091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).