2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol

C5H5F3N2OS2 — CID 114449822

IUPAC2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
SMILESOCCSc1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2OS2/c6-5(7,8)3-9-10-4(13-3)12-2-1-11/h11H,1-2H2
InChIKeySVPIKXIVBSQZRS-UHFFFAOYSA-N
MW230.24 g/mol
LogP1.64
Rot. Bonds3

About 2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol

2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol (PubChem CID 114449822) has the molecular formula C5H5F3N2OS2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
PubChem CID114449822
Molecular FormulaC5H5F3N2OS2
Molecular Weight230.24 g/mol
Exact Mass229.98
IUPAC Name2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
SMILESOCCSc1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2OS2/c6-5(7,8)3-9-10-4(13-3)12-2-1-11/h11H,1-2H2
InChIKeySVPIKXIVBSQZRS-UHFFFAOYSA-N
XLogP1.64
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
The IUPAC name of 2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol (CID 114449822) is 2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
The canonical SMILES for 2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol is OCCSc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
The InChIKey is SVPIKXIVBSQZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2OS2/c6-5(7,8)3-9-10-4(13-3)12-2-1-11/h11H,1-2H2.
What are the key properties of 2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol has a molecular weight of 230.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol is sourced from PubChem (CID 114449822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).