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

C8H12F3N3OS — CID 107305096

IUPAC4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol
SMILESCC(O)CC(C)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3OS/c1-4(3-5(2)15)12-7-13-6(14-16-7)8(9,10)11/h4-5,15H,3H2,1-2H3,(H,12,13,14)
InChIKeyFATHPHROIZISOS-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.13
Rot. Bonds4

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

4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol (PubChem CID 107305096) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol
PubChem CID107305096
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol
SMILESCC(O)CC(C)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3OS/c1-4(3-5(2)15)12-7-13-6(14-16-7)8(9,10)11/h4-5,15H,3H2,1-2H3,(H,12,13,14)
InChIKeyFATHPHROIZISOS-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
CID 124738378
1,1,1-Trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103702775
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103736426
1,1,1-Trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103736428
1,1-Difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103894632
1,1-Difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103894635
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 103894639
2,2-Difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
CID 104858477
2,2-Difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
CID 104858511
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 104858586
3-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 104952794
3-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 104952840

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol?
The IUPAC name of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol (CID 107305096) is 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol.
What is the SMILES notation for 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol?
The canonical SMILES for 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol is CC(O)CC(C)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol?
The InChIKey is FATHPHROIZISOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-4(3-5(2)15)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 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol?
4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol has a molecular weight of 255.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol is sourced from PubChem (CID 107305096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).