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

C12H13FN2OS — CID 105077031

IUPAC1-(4-ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
SMILESCCc1nnsc1C(O)Cc1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS/c1-2-10-12(17-15-14-10)11(16)7-8-3-5-9(13)6-4-8/h3-6,11,16H,2,7H2,1H3
InChIKeyWCQKAQMPOYYQPS-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.52
Rot. Bonds4

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

1-(4-ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol (PubChem CID 105077031) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
PubChem CID105077031
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name1-(4-ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
SMILESCCc1nnsc1C(O)Cc1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS/c1-2-10-12(17-15-14-10)11(16)7-8-3-5-9(13)6-4-8/h3-6,11,16H,2,7H2,1H3
InChIKeyWCQKAQMPOYYQPS-UHFFFAOYSA-N
XLogP2.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-Fluorophenyl)-1,2,3-thiadiazol-4-yl]methanol
CID 69206022
1-(4-Fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol
CID 174925088
(4-Phenyl-1,2,3-Thiadiazol-5-Yl)Methanol
CID 2776524
2-(5-Phenylthiadiazol-4-yl)propan-2-ol
CID 13494833
1-(5-Phenylthiadiazol-4-yl)cyclohexan-1-ol
CID 13494835
Phenyl-(5-phenylthiadiazol-4-yl)methanol
CID 13494837
1-(5-Phenylthiadiazol-4-yl)butan-1-ol
CID 13494838
2-(2-Chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 102623087
2-(2-Chloro-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 102623131
1-(4-Tert-butylthiadiazol-5-yl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102623155
2-(2-Chloro-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 102623197
(4-Ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759066

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol (CID 105077031) is 1-(4-ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol is CCc1nnsc1C(O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol?
The InChIKey is WCQKAQMPOYYQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-2-10-12(17-15-14-10)11(16)7-8-3-5-9(13)6-4-8/h3-6,11,16H,2,7H2,1H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol?
1-(4-ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol has a molecular weight of 252.31 g/mol, XLogP of 2.52, 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-(4-fluorophenyl)ethanol is sourced from PubChem (CID 105077031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).