1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol

C13H16N2OS — CID 105077964

IUPAC1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol
SMILESCCc1nnsc1C(O)Cc1cccc(C)c1
InChIInChI=1S/C13H16N2OS/c1-3-11-13(17-15-14-11)12(16)8-10-6-4-5-9(2)7-10/h4-7,12,16H,3,8H2,1-2H3
InChIKeyPTFNLKLVSONUFB-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.69
Rot. Bonds4

About 1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol

1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol (PubChem CID 105077964) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol
PubChem CID105077964
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol
SMILESCCc1nnsc1C(O)Cc1cccc(C)c1
InChIInChI=1S/C13H16N2OS/c1-3-11-13(17-15-14-11)12(16)8-10-6-4-5-9(2)7-10/h4-7,12,16H,3,8H2,1-2H3
InChIKeyPTFNLKLVSONUFB-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-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078091
2-(4-chlorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105076672
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol
CID 105077949
(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine
CID 105090458
1-(4-ethylthiadiazol-5-yl)-2-(furan-2-yl)ethanol
CID 105122955
(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol
CID 105131044
1-(4-ethylthiadiazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 105117650
2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 62388216
1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine
CID 105084360
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105086113
2-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105098842
1-(4-ethylthiadiazol-5-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 105110978

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol (CID 105077964) is 1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol is CCc1nnsc1C(O)Cc1cccc(C)c1.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol?
The InChIKey is PTFNLKLVSONUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-11-13(17-15-14-11)12(16)8-10-6-4-5-9(2)7-10/h4-7,12,16H,3,8H2,1-2H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol?
1-(4-ethylthiadiazol-5-yl)-2-(3-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-(3-methylphenyl)ethanol is sourced from PubChem (CID 105077964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).