1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol

C10H14F3N3O2S — CID 136518258

IUPAC1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCOCc1nsc(N2CCC(O)(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H14F3N3O2S/c1-18-6-7-14-8(19-15-7)16-4-2-9(17,3-5-16)10(11,12)13/h17H,2-6H2,1H3
InChIKeyLMPNHHINNPIERO-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.58
Rot. Bonds3

About 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol

1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 136518258) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID136518258
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCOCc1nsc(N2CCC(O)(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H14F3N3O2S/c1-18-6-7-14-8(19-15-7)16-4-2-9(17,3-5-16)10(11,12)13/h17H,2-6H2,1H3
InChIKeyLMPNHHINNPIERO-UHFFFAOYSA-N
XLogP1.58
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 164635685
3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 107305736
3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
CID 107305740
[6,6-Dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305743
4-[[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-ol
CID 107305748
4-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
CID 113944088
4-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 113944092
3-(Methoxymethyl)-5-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 126819095
1-[3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 138041764
1-[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidine
CID 145914150
1-[3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidine
CID 145914163
3-(Fluoromethyl)-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 155941734

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol (CID 136518258) is 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol is COCc1nsc(N2CCC(O)(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is LMPNHHINNPIERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-18-6-7-14-8(19-15-7)16-4-2-9(17,3-5-16)10(11,12)13/h17H,2-6H2,1H3.
What are the key properties of 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol?
1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 297.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 136518258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).