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

C7H10F3N3O2S — CID 107305028

IUPAC2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol
SMILESCC(O)(CO)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3O2S/c1-6(15,3-14)2-11-5-12-4(13-16-5)7(8,9)10/h14-15H,2-3H2,1H3,(H,11,12,13)
InChIKeyYDMJOOZZKJCUIZ-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.71
Rot. Bonds4

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

2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol (PubChem CID 107305028) has the molecular formula C7H10F3N3O2S and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol
PubChem CID107305028
Molecular FormulaC7H10F3N3O2S
Molecular Weight257.24 g/mol
Exact Mass257.04
IUPAC Name2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol
SMILESCC(O)(CO)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3O2S/c1-6(15,3-14)2-11-5-12-4(13-16-5)7(8,9)10/h14-15H,2-3H2,1H3,(H,11,12,13)
InChIKeyYDMJOOZZKJCUIZ-UHFFFAOYSA-N
XLogP0.71
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol?
The IUPAC name of 2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol (CID 107305028) is 2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol?
The canonical SMILES for 2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol is CC(O)(CO)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol?
The InChIKey is YDMJOOZZKJCUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S/c1-6(15,3-14)2-11-5-12-4(13-16-5)7(8,9)10/h14-15H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol?
2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol has a molecular weight of 257.24 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol is sourced from PubChem (CID 107305028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).