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

C10H8ClFN2OS — CID 105086929

IUPAC2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
SMILESOC(Cc1ccc(F)cc1Cl)c1csnn1
InChIInChI=1S/C10H8ClFN2OS/c11-8-4-7(12)2-1-6(8)3-10(15)9-5-16-14-13-9/h1-2,4-5,10,15H,3H2
InChIKeyZKMJKPDLQOGDNY-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.61
Rot. Bonds3

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

2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol (PubChem CID 105086929) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
PubChem CID105086929
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.71 g/mol
Exact Mass258.00
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
SMILESOC(Cc1ccc(F)cc1Cl)c1csnn1
InChIInChI=1S/C10H8ClFN2OS/c11-8-4-7(12)2-1-6(8)3-10(15)9-5-16-14-13-9/h1-2,4-5,10,15H,3H2
InChIKeyZKMJKPDLQOGDNY-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-(5-chloro-2-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 103053464
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CID 105086930
2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105086943
2-(2-chloro-4-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 79427421
2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
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1-(4-bromophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 62607022
2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 115785055
2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 63960769
2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105132366
2-(4-methylphenyl)-1-(thiadiazol-4-yl)ethanol
CID 105077364
2-(2-chloro-4-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63035451
1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 65361780

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol (CID 105086929) is 2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol is OC(Cc1ccc(F)cc1Cl)c1csnn1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol?
The InChIKey is ZKMJKPDLQOGDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c11-8-4-7(12)2-1-6(8)3-10(15)9-5-16-14-13-9/h1-2,4-5,10,15H,3H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol?
2-(2-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-(2-chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol is sourced from PubChem (CID 105086929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).