1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol

C14H17FN2OS — CID 105077051

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN2OS/c1-14(2,3)13-12(19-17-16-13)11(18)8-9-4-6-10(15)7-5-9/h4-7,11,18H,8H2,1-3H3
InChIKeyJCLAEBFSGCYXRI-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.25
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol

1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol (PubChem CID 105077051) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
PubChem CID105077051
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN2OS/c1-14(2,3)13-12(19-17-16-13)11(18)8-9-4-6-10(15)7-5-9/h4-7,11,18H,8H2,1-3H3
InChIKeyJCLAEBFSGCYXRI-UHFFFAOYSA-N
XLogP3.25
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.25
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
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
[2-Methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 102759173

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol (CID 105077051) is 1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol is CC(C)(C)c1nnsc1C(O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol?
The InChIKey is JCLAEBFSGCYXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-14(2,3)13-12(19-17-16-13)11(18)8-9-4-6-10(15)7-5-9/h4-7,11,18H,8H2,1-3H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol?
1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol has a molecular weight of 280.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 105077051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).