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

C8H12F3N3O2S — CID 114448339

IUPAC1-methoxy-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
SMILESCOCC(O)CN(C)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H12F3N3O2S/c1-14(3-5(15)4-16-2)7-13-12-6(17-7)8(9,10)11/h5,15H,3-4H2,1-2H3
InChIKeyHAGRCAZRJCKBHI-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.00
Rot. Bonds5

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

1-methoxy-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol (PubChem CID 114448339) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
PubChem CID114448339
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC Name1-methoxy-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
SMILESCOCC(O)CN(C)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H12F3N3O2S/c1-14(3-5(15)4-16-2)7-13-12-6(17-7)8(9,10)11/h5,15H,3-4H2,1-2H3
InChIKeyHAGRCAZRJCKBHI-UHFFFAOYSA-N
XLogP1.00
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
CID 71916926
(2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
CID 96542899
(2R)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
CID 96542900
1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3,4-diol
CID 106673354
2-[Butyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
CID 113587040
2-[2-Methoxyethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
CID 113587046
2-[2-[Ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethoxy]ethanol
CID 114263321
1-Methoxy-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
CID 114448575
2-[Propyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
CID 114448603
4-[Methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-2-ol
CID 114448646
[4-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol
CID 114448701
2-[1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxyethanol
CID 114448792

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol (CID 114448339) is 1-methoxy-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol is COCC(O)CN(C)c1nnc(C(F)(F)F)s1.
What is the InChIKey of 1-methoxy-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol?
The InChIKey is HAGRCAZRJCKBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-14(3-5(15)4-16-2)7-13-12-6(17-7)8(9,10)11/h5,15H,3-4H2,1-2H3.
What are the key properties of 1-methoxy-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol?
1-methoxy-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol has a molecular weight of 271.26 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol is sourced from PubChem (CID 114448339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).