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

C9H15F3N4OS — CID 106145449

IUPAC1-(dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
SMILESCN(C)CC(C)(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H15F3N4OS/c1-8(17,5-16(2)3)4-13-7-14-6(15-18-7)9(10,11)12/h17H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyJLHLZAICLXGVMB-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.28
Rot. Bonds5

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

1-(dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol (PubChem CID 106145449) has the molecular formula C9H15F3N4OS and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
PubChem CID106145449
Molecular FormulaC9H15F3N4OS
Molecular Weight284.31 g/mol
Exact Mass284.09
IUPAC Name1-(dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
SMILESCN(C)CC(C)(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H15F3N4OS/c1-8(17,5-16(2)3)4-13-7-14-6(15-18-7)9(10,11)12/h17H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyJLHLZAICLXGVMB-UHFFFAOYSA-N
XLogP1.28
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol with MolForge

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Related Compounds

1,1,1-Trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103702775
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-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 104952794
2-Methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol
CID 106290617
N,N,2,2-tetramethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304660
N',N'-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304685
1-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107304711
2-Methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107305002
2-Methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
CID 107305003
3-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pentan-3-ol
CID 107305004

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol (CID 106145449) is 1-(dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol is CN(C)CC(C)(O)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The InChIKey is JLHLZAICLXGVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4OS/c1-8(17,5-16(2)3)4-13-7-14-6(15-18-7)9(10,11)12/h17H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 1-(dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
1-(dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol has a molecular weight of 284.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol is sourced from PubChem (CID 106145449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).