2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

C13H15FN2OS — CID 105077724

IUPAC2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1ccccc1F
InChIInChI=1S/C13H15FN2OS/c1-8(2)12-13(18-16-15-12)11(17)7-9-5-3-4-6-10(9)14/h3-6,8,11,17H,7H2,1-2H3
InChIKeyAIJFFFUFSGMKSN-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.08
Rot. Bonds4

About 2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (PubChem CID 105077724) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
PubChem CID105077724
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1ccccc1F
InChIInChI=1S/C13H15FN2OS/c1-8(2)12-13(18-16-15-12)11(17)7-9-5-3-4-6-10(9)14/h3-6,8,11,17H,7H2,1-2H3
InChIKeyAIJFFFUFSGMKSN-UHFFFAOYSA-N
XLogP3.08
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.08
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
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 2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (CID 105077724) is 2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is CC(C)c1nnsc1C(O)Cc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The InChIKey is AIJFFFUFSGMKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-8(2)12-13(18-16-15-12)11(17)7-9-5-3-4-6-10(9)14/h3-6,8,11,17H,7H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol has a molecular weight of 266.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105077724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).