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

C13H14ClFN2OS — CID 103043553

IUPAC2-(3-chloro-4-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol
SMILESCCCc1nnsc1C(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H14ClFN2OS/c1-2-3-11-13(19-17-16-11)12(18)7-8-4-5-10(15)9(14)6-8/h4-6,12,18H,2-3,7H2,1H3
InChIKeyORBZVKWBVPVURF-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.56
Rot. Bonds5

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

2-(3-chloro-4-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol (PubChem CID 103043553) has the molecular formula C13H14ClFN2OS and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol
PubChem CID103043553
Molecular FormulaC13H14ClFN2OS
Molecular Weight300.79 g/mol
Exact Mass300.05
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol
SMILESCCCc1nnsc1C(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H14ClFN2OS/c1-2-3-11-13(19-17-16-11)12(18)7-8-4-5-10(15)9(14)6-8/h4-6,12,18H,2-3,7H2,1H3
InChIKeyORBZVKWBVPVURF-UHFFFAOYSA-N
XLogP3.56
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.56
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-4-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol (CID 103043553) is 2-(3-chloro-4-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol is CCCc1nnsc1C(O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol?
The InChIKey is ORBZVKWBVPVURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2OS/c1-2-3-11-13(19-17-16-11)12(18)7-8-4-5-10(15)9(14)6-8/h4-6,12,18H,2-3,7H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol?
2-(3-chloro-4-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol has a molecular weight of 300.79 g/mol, XLogP of 3.56, 5 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-(4-propylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 103043553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).