1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol

C7H8F3N3O2S — CID 106673354

IUPAC1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol
SMILESOC1CN(c2nnc(C(F)(F)F)s2)CC1O
InChIInChI=1S/C7H8F3N3O2S/c8-7(9,10)5-11-12-6(16-5)13-1-3(14)4(15)2-13/h3-4,14-15H,1-2H2
InChIKeyZNIOMBKNLBPRTA-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.10
Rot. Bonds1

About 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol

1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol (PubChem CID 106673354) has the molecular formula C7H8F3N3O2S and a molecular weight of 255.22 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol
PubChem CID106673354
Molecular FormulaC7H8F3N3O2S
Molecular Weight255.22 g/mol
Exact Mass255.03
IUPAC Name1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol
SMILESOC1CN(c2nnc(C(F)(F)F)s2)CC1O
InChIInChI=1S/C7H8F3N3O2S/c8-7(9,10)5-11-12-6(16-5)13-1-3(14)4(15)2-13/h3-4,14-15H,1-2H2
InChIKeyZNIOMBKNLBPRTA-UHFFFAOYSA-N
XLogP0.10
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol (CID 106673354) is 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol is OC1CN(c2nnc(C(F)(F)F)s2)CC1O.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol?
The InChIKey is ZNIOMBKNLBPRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2S/c8-7(9,10)5-11-12-6(16-5)13-1-3(14)4(15)2-13/h3-4,14-15H,1-2H2.
What are the key properties of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol?
1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol has a molecular weight of 255.22 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106673354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).