2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

C13H14F2N2OS — CID 105121858

IUPAC2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2OS/c1-7(2)12-13(19-17-16-12)11(18)6-8-3-4-9(14)10(15)5-8/h3-5,7,11,18H,6H2,1-2H3
InChIKeyIFSCWPCERYIKMW-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.22
Rot. Bonds4

About 2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (PubChem CID 105121858) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
PubChem CID105121858
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC Name2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2OS/c1-7(2)12-13(19-17-16-12)11(18)6-8-3-4-9(14)10(15)5-8/h3-5,7,11,18H,6H2,1-2H3
InChIKeyIFSCWPCERYIKMW-UHFFFAOYSA-N
XLogP3.22
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105086930
2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105088383
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 103043275
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105084474
1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol
CID 103456481
2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105107127
2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105412547
N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105176082
1-(3,4-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 82920814
2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105136962
2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105175945
2-(3,4-difluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 82920072

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (CID 105121858) is 2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is CC(C)c1nnsc1C(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The InChIKey is IFSCWPCERYIKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c1-7(2)12-13(19-17-16-12)11(18)6-8-3-4-9(14)10(15)5-8/h3-5,7,11,18H,6H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol has a molecular weight of 284.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105121858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).