2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol

C11H10ClFN2OS — CID 102867603

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol
SMILESCc1nnsc1C(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H10ClFN2OS/c1-6-11(17-15-14-6)9(16)5-7-3-2-4-8(12)10(7)13/h2-4,9,16H,5H2,1H3
InChIKeyNBWIVBBWFHXFCY-UHFFFAOYSA-N
MW272.73 g/mol
LogP2.92
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol

2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol (PubChem CID 102867603) has the molecular formula C11H10ClFN2OS and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol
PubChem CID102867603
Molecular FormulaC11H10ClFN2OS
Molecular Weight272.73 g/mol
Exact Mass272.02
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol
SMILESCc1nnsc1C(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H10ClFN2OS/c1-6-11(17-15-14-6)9(16)5-7-3-2-4-8(12)10(7)13/h2-4,9,16H,5H2,1H3
InChIKeyNBWIVBBWFHXFCY-UHFFFAOYSA-N
XLogP2.92
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol
CID 174925088
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-(thiadiazol-4-yl)ethanol
CID 102623171
2-(2-Chloro-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 102623197
2-(3-Chloro-2-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 102867464
2-(3-Chloro-2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 102867511
2-(3-Chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 102867557
1-(4-Tert-butylthiadiazol-5-yl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102867581
2-(3-Chloro-2-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 102867582

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol (CID 102867603) is 2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol is Cc1nnsc1C(O)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol?
The InChIKey is NBWIVBBWFHXFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2OS/c1-6-11(17-15-14-6)9(16)5-7-3-2-4-8(12)10(7)13/h2-4,9,16H,5H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol?
2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol has a molecular weight of 272.73 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 102867603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).