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

C8H12F3N3O2S — CID 107866212

IUPAC2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3O2S/c1-2-7(3-15,4-16)13-6-12-5(14-17-6)8(9,10)11/h15-16H,2-4H2,1H3,(H,12,13,14)
InChIKeyCNQXPSNFAUKEGX-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.10
Rot. Bonds5

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

2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol (PubChem CID 107866212) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol
PubChem CID107866212
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC Name2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3O2S/c1-2-7(3-15,4-16)13-6-12-5(14-17-6)8(9,10)11/h15-16H,2-4H2,1H3,(H,12,13,14)
InChIKeyCNQXPSNFAUKEGX-UHFFFAOYSA-N
XLogP1.10
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol (CID 107866212) is 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol is CCC(CO)(CO)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol?
The InChIKey is CNQXPSNFAUKEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-2-7(3-15,4-16)13-6-12-5(14-17-6)8(9,10)11/h15-16H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol?
2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol has a molecular weight of 271.26 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol is sourced from PubChem (CID 107866212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).