[6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol

C9H12F3N3O2S — CID 107305754

IUPAC[6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
SMILESCC1CN(c2nc(C(F)(F)F)ns2)CC(CO)O1
InChIInChI=1S/C9H12F3N3O2S/c1-5-2-15(3-6(4-16)17-5)8-13-7(14-18-8)9(10,11)12/h5-6,16H,2-4H2,1H3
InChIKeyZSXDUDASIKVZHJ-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.14
Rot. Bonds2

About [6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol

[6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol (PubChem CID 107305754) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.28 g/mol. Its IUPAC name is [6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
PubChem CID107305754
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.28 g/mol
Exact Mass283.06
IUPAC Name[6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
SMILESCC1CN(c2nc(C(F)(F)F)ns2)CC(CO)O1
InChIInChI=1S/C9H12F3N3O2S/c1-5-2-15(3-6(4-16)17-5)8-13-7(14-18-8)9(10,11)12/h5-6,16H,2-4H2,1H3
InChIKeyZSXDUDASIKVZHJ-UHFFFAOYSA-N
XLogP1.14
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 71988591
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
CID 107305657
[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305723
[5-Methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305725
2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanol
CID 107305726
[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanol
CID 107305737
[6,6-Dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305743
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3,4-diol
CID 107305757
(2S)-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 111976999
4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carboxylic acid
CID 113943860
1-Methoxy-3-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 113944085
2-[2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol
CID 114243532

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol?
The IUPAC name of [6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol (CID 107305754) is [6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol?
The canonical SMILES for [6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol is CC1CN(c2nc(C(F)(F)F)ns2)CC(CO)O1.
What is the InChIKey of [6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol?
The InChIKey is ZSXDUDASIKVZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c1-5-2-15(3-6(4-16)17-5)8-13-7(14-18-8)9(10,11)12/h5-6,16H,2-4H2,1H3.
What are the key properties of [6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol?
[6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol has a molecular weight of 283.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 107305754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).