2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol

C12H12ClFN2OS — CID 105132974

IUPAC2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
SMILESCCc1nnsc1C(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C12H12ClFN2OS/c1-2-10-12(18-16-15-10)11(17)5-7-3-4-8(13)6-9(7)14/h3-4,6,11,17H,2,5H2,1H3
InChIKeyHNMQGDCCOQAIQI-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.17
Rot. Bonds4

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

2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol (PubChem CID 105132974) has the molecular formula C12H12ClFN2OS and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
PubChem CID105132974
Molecular FormulaC12H12ClFN2OS
Molecular Weight286.76 g/mol
Exact Mass286.03
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
SMILESCCc1nnsc1C(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C12H12ClFN2OS/c1-2-10-12(18-16-15-10)11(17)5-7-3-4-8(13)6-9(7)14/h3-4,6,11,17H,2,5H2,1H3
InChIKeyHNMQGDCCOQAIQI-UHFFFAOYSA-N
XLogP3.17
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105089389
2-(4-chlorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105076672
2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
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1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078091
2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
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CID 105131314
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol
CID 105077964
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105086779
1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol
CID 105101035
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol
CID 105086800
2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 114855034

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol (CID 105132974) is 2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol is CCc1nnsc1C(O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol?
The InChIKey is HNMQGDCCOQAIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2OS/c1-2-10-12(18-16-15-10)11(17)5-7-3-4-8(13)6-9(7)14/h3-4,6,11,17H,2,5H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol?
2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol has a molecular weight of 286.76 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105132974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).