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

C13H14ClFN2OS — CID 102867511

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFN2OS/c1-7(2)12-13(19-17-16-12)10(18)6-8-4-3-5-9(14)11(8)15/h3-5,7,10,18H,6H2,1-2H3
InChIKeyUGWGQBNMRKTFSI-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.73
Rot. Bonds4

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

2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (PubChem CID 102867511) has the molecular formula C13H14ClFN2OS and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
PubChem CID102867511
Molecular FormulaC13H14ClFN2OS
Molecular Weight300.79 g/mol
Exact Mass300.05
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFN2OS/c1-7(2)12-13(19-17-16-12)10(18)6-8-4-3-5-9(14)11(8)15/h3-5,7,10,18H,6H2,1-2H3
InChIKeyUGWGQBNMRKTFSI-UHFFFAOYSA-N
XLogP3.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.73
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
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-(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
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (CID 102867511) is 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is CC(C)c1nnsc1C(O)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The InChIKey is UGWGQBNMRKTFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2OS/c1-7(2)12-13(19-17-16-12)10(18)6-8-4-3-5-9(14)11(8)15/h3-5,7,10,18H,6H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol has a molecular weight of 300.79 g/mol, XLogP of 3.73, 4 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-propan-2-ylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 102867511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).