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

C14H16ClFN2OS — CID 102867581

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-(3-chloro-2-fluorophenyl)ethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H16ClFN2OS/c1-14(2,3)13-12(20-18-17-13)10(19)7-8-5-4-6-9(15)11(8)16/h4-6,10,19H,7H2,1-3H3
InChIKeyDWFPWBSXQNRRJJ-UHFFFAOYSA-N
MW314.81 g/mol
LogP3.90
Rot. Bonds3

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

1-(4-tert-butylthiadiazol-5-yl)-2-(3-chloro-2-fluorophenyl)ethanol (PubChem CID 102867581) has the molecular formula C14H16ClFN2OS and a molecular weight of 314.81 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-(3-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-(3-chloro-2-fluorophenyl)ethanol
PubChem CID102867581
Molecular FormulaC14H16ClFN2OS
Molecular Weight314.81 g/mol
Exact Mass314.07
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-(3-chloro-2-fluorophenyl)ethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H16ClFN2OS/c1-14(2,3)13-12(20-18-17-13)10(19)7-8-5-4-6-9(15)11(8)16/h4-6,10,19H,7H2,1-3H3
InChIKeyDWFPWBSXQNRRJJ-UHFFFAOYSA-N
XLogP3.90
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 53.90
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
1-(4-Tert-butylthiadiazol-5-yl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102623155
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-(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
2-(3-Chloro-4-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 103043606

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(3-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(3-chloro-2-fluorophenyl)ethanol (CID 102867581) is 1-(4-tert-butylthiadiazol-5-yl)-2-(3-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-(3-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-(3-chloro-2-fluorophenyl)ethanol is CC(C)(C)c1nnsc1C(O)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-(3-chloro-2-fluorophenyl)ethanol?
The InChIKey is DWFPWBSXQNRRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2OS/c1-14(2,3)13-12(20-18-17-13)10(19)7-8-5-4-6-9(15)11(8)16/h4-6,10,19H,7H2,1-3H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-(3-chloro-2-fluorophenyl)ethanol?
1-(4-tert-butylthiadiazol-5-yl)-2-(3-chloro-2-fluorophenyl)ethanol has a molecular weight of 314.81 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-(3-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 102867581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).