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

C10H14F3N3O2S — CID 107305748

IUPAC4-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H14F3N3O2S/c1-16(6-9(17)2-4-18-5-3-9)8-14-7(15-19-8)10(11,12)13/h17H,2-6H2,1H3
InChIKeySWQAHWOGWQSULP-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.53
Rot. Bonds3

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

4-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-ol (PubChem CID 107305748) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 4-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-ol
PubChem CID107305748
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name4-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H14F3N3O2S/c1-16(6-9(17)2-4-18-5-3-9)8-14-7(15-19-8)10(11,12)13/h17H,2-6H2,1H3
InChIKeySWQAHWOGWQSULP-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-ol (CID 107305748) is 4-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 4-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-ol?
The InChIKey is SWQAHWOGWQSULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-16(6-9(17)2-4-18-5-3-9)8-14-7(15-19-8)10(11,12)13/h17H,2-6H2,1H3.
What are the key properties of 4-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-ol?
4-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-ol has a molecular weight of 297.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 107305748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).