1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol

C11H10F2N2O2S2 — CID 110885138

IUPAC1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol
SMILESOC(CSc1nncs1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H10F2N2O2S2/c12-10(13)17-8-3-1-7(2-4-8)9(16)5-18-11-15-14-6-19-11/h1-4,6,9-10,16H,5H2
InChIKeyUQCJZOYFNDHNSR-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.97
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol

1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol (PubChem CID 110885138) has the molecular formula C11H10F2N2O2S2 and a molecular weight of 304.34 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol
PubChem CID110885138
Molecular FormulaC11H10F2N2O2S2
Molecular Weight304.34 g/mol
Exact Mass304.02
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol
SMILESOC(CSc1nncs1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H10F2N2O2S2/c12-10(13)17-8-3-1-7(2-4-8)9(16)5-18-11-15-14-6-19-11/h1-4,6,9-10,16H,5H2
InChIKeyUQCJZOYFNDHNSR-UHFFFAOYSA-N
XLogP2.97
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 78766338
2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole
CID 130658941
4-[2-hydroxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propoxy]benzonitrile
CID 42894852
(2R)-1-(4-phenylphenoxy)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 42104105
2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole
CID 66224085
1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol
CID 55151573
1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol
CID 64568016
1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
CID 166194503
1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158840
1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol
CID 65150516
1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol
CID 63017905
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol (CID 110885138) is 1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol is OC(CSc1nncs1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol?
The InChIKey is UQCJZOYFNDHNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2S2/c12-10(13)17-8-3-1-7(2-4-8)9(16)5-18-11-15-14-6-19-11/h1-4,6,9-10,16H,5H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol?
1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol has a molecular weight of 304.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol is sourced from PubChem (CID 110885138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).