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

C8H12F3N3OS — CID 107305165

IUPAC3-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
SMILESCC(C)C(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3OS/c1-4(2)5(15)3-12-7-13-6(14-16-7)8(9,10)11/h4-5,15H,3H2,1-2H3,(H,12,13,14)
InChIKeyUEFLCUMQZBZWDC-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.99
Rot. Bonds4

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

3-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol (PubChem CID 107305165) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is 3-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
PubChem CID107305165
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name3-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
SMILESCC(C)C(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3OS/c1-4(2)5(15)3-12-7-13-6(14-16-7)8(9,10)11/h4-5,15H,3H2,1-2H3,(H,12,13,14)
InChIKeyUEFLCUMQZBZWDC-UHFFFAOYSA-N
XLogP1.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol 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 3-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol?
The IUPAC name of 3-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol (CID 107305165) is 3-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol is CC(C)C(O)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol?
The InChIKey is UEFLCUMQZBZWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-4(2)5(15)3-12-7-13-6(14-16-7)8(9,10)11/h4-5,15H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 3-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol?
3-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol has a molecular weight of 255.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol is sourced from PubChem (CID 107305165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).