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

C11H16F3N3OS — CID 107305008

IUPAC3-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C11H16F3N3OS/c1-7-3-2-4-10(18,5-7)6-15-9-16-8(17-19-9)11(12,13)14/h7,18H,2-6H2,1H3,(H,15,16,17)
InChIKeyMGSUNPAEEKEBJB-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.91
Rot. Bonds3

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

3-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 107305008) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
PubChem CID107305008
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name3-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C11H16F3N3OS/c1-7-3-2-4-10(18,5-7)6-15-9-16-8(17-19-9)11(12,13)14/h7,18H,2-6H2,1H3,(H,15,16,17)
InChIKeyMGSUNPAEEKEBJB-UHFFFAOYSA-N
XLogP2.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol (CID 107305008) is 3-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol is CC1CCCC(O)(CNc2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 3-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is MGSUNPAEEKEBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-7-3-2-4-10(18,5-7)6-15-9-16-8(17-19-9)11(12,13)14/h7,18H,2-6H2,1H3,(H,15,16,17).
What are the key properties of 3-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
3-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 295.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 107305008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).