2-(3-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol

C10H8ClFN2OS — CID 103043682

IUPAC2-(3-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)c1csnn1
InChIInChI=1S/C10H8ClFN2OS/c11-7-3-6(1-2-8(7)12)4-10(15)9-5-16-14-13-9/h1-3,5,10,15H,4H2
InChIKeyHLIMNAOTATXWRP-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.61
Rot. Bonds3

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

2-(3-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol (PubChem CID 103043682) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
PubChem CID103043682
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.71 g/mol
Exact Mass258.00
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)c1csnn1
InChIInChI=1S/C10H8ClFN2OS/c11-7-3-6(1-2-8(7)12)4-10(15)9-5-16-14-13-9/h1-3,5,10,15H,4H2
InChIKeyHLIMNAOTATXWRP-UHFFFAOYSA-N
XLogP2.61
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
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
2-(3-Chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 102867603
1-(4-Tert-butylthiadiazol-5-yl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103043552
2-(3-Chloro-4-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 103043553
2-(3-Chloro-4-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 103043570

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol (CID 103043682) is 2-(3-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol is OC(Cc1ccc(F)c(Cl)c1)c1csnn1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol?
The InChIKey is HLIMNAOTATXWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c11-7-3-6(1-2-8(7)12)4-10(15)9-5-16-14-13-9/h1-3,5,10,15H,4H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol?
2-(3-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol has a molecular weight of 258.71 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol is sourced from PubChem (CID 103043682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).