2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol

C7H10F3N3O3S — CID 107849355

IUPAC2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol
SMILESOCC(CO)(CO)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3O3S/c8-7(9,10)4-12-13-5(17-4)11-6(1-14,2-15)3-16/h14-16H,1-3H2,(H,11,13)
InChIKeyUVGPXJDIZCIBNC-UHFFFAOYSA-N
MW273.24 g/mol
LogP-0.32
Rot. Bonds5

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

2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol (PubChem CID 107849355) has the molecular formula C7H10F3N3O3S and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol
PubChem CID107849355
Molecular FormulaC7H10F3N3O3S
Molecular Weight273.24 g/mol
Exact Mass273.04
IUPAC Name2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol
SMILESOCC(CO)(CO)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3O3S/c8-7(9,10)4-12-13-5(17-4)11-6(1-14,2-15)3-16/h14-16H,1-3H2,(H,11,13)
InChIKeyUVGPXJDIZCIBNC-UHFFFAOYSA-N
XLogP-0.32
TPSA98.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol (CID 107849355) is 2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol is OCC(CO)(CO)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol?
The InChIKey is UVGPXJDIZCIBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O3S/c8-7(9,10)4-12-13-5(17-4)11-6(1-14,2-15)3-16/h14-16H,1-3H2,(H,11,13).
What are the key properties of 2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol?
2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol has a molecular weight of 273.24 g/mol, XLogP of -0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propane-1,3-diol is sourced from PubChem (CID 107849355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).