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

C9H12F3N3O2S — CID 107305725

IUPAC[5-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H12F3N3O2S/c1-5-4-17-6(3-16)2-15(5)8-13-7(14-18-8)9(10,11)12/h5-6,16H,2-4H2,1H3
InChIKeyIIWCIVUTZADALQ-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.14
Rot. Bonds2

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

[5-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol (PubChem CID 107305725) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.28 g/mol. Its IUPAC name is [5-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
PubChem CID107305725
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.28 g/mol
Exact Mass283.06
IUPAC Name[5-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H12F3N3O2S/c1-5-4-17-6(3-16)2-15(5)8-13-7(14-18-8)9(10,11)12/h5-6,16H,2-4H2,1H3
InChIKeyIIWCIVUTZADALQ-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

[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305723
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
[6-Methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305754
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
[1-Methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-yl]methanol
CID 137888303
3-(2,2-Difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 167752893
[4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol
CID 79838968
[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol
CID 79839433

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol (CID 107305725) is [5-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol is CC1COC(CO)CN1c1nc(C(F)(F)F)ns1.
What is the InChIKey of [5-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol?
The InChIKey is IIWCIVUTZADALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c1-5-4-17-6(3-16)2-15(5)8-13-7(14-18-8)9(10,11)12/h5-6,16H,2-4H2,1H3.
What are the key properties of [5-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol?
[5-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 [5-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 107305725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).