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

C9H14F3N3O2S — CID 114164482

IUPAC4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
SMILESCOCCC(C)(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H14F3N3O2S/c1-8(16,3-4-17-2)5-13-7-14-6(15-18-7)9(10,11)12/h16H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyHJUCLCKQXIAAKX-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.76
Rot. Bonds6

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

4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol (PubChem CID 114164482) has the molecular formula C9H14F3N3O2S and a molecular weight of 285.29 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
PubChem CID114164482
Molecular FormulaC9H14F3N3O2S
Molecular Weight285.29 g/mol
Exact Mass285.08
IUPAC Name4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
SMILESCOCCC(C)(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H14F3N3O2S/c1-8(16,3-4-17-2)5-13-7-14-6(15-18-7)9(10,11)12/h16H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyHJUCLCKQXIAAKX-UHFFFAOYSA-N
XLogP1.76
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 106171882
N-(3-chloro-2,2-dimethylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306150
1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106253734
4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
CID 106253886
N-(2-ethoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304729
1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106251038
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304692
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate
CID 107305091
4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol
CID 106254298
N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine
CID 165466681
N-(2-ethylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305185

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol (CID 114164482) is 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol is COCCC(C)(O)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol?
The InChIKey is HJUCLCKQXIAAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S/c1-8(16,3-4-17-2)5-13-7-14-6(15-18-7)9(10,11)12/h16H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol?
4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol has a molecular weight of 285.29 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol is sourced from PubChem (CID 114164482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).