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

C11H16F3N3OS — CID 107305006

IUPAC4-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H16F3N3OS/c1-7-2-4-10(18,5-3-7)6-15-9-16-8(17-19-9)11(12,13)14/h7,18H,2-6H2,1H3,(H,15,16,17)
InChIKeyMHHWOWIBVYJZHM-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.91
Rot. Bonds3

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

4-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 107305006) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
PubChem CID107305006
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name4-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H16F3N3OS/c1-7-2-4-10(18,5-3-7)6-15-9-16-8(17-19-9)11(12,13)14/h7,18H,2-6H2,1H3,(H,15,16,17)
InChIKeyMHHWOWIBVYJZHM-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

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

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Related Compounds

1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol
CID 107305005
1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65273778
4-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxan-4-ol
CID 81130479
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304692
4-methyl-1-[(2,3,4,5,6-pentafluoroanilino)methyl]cyclohexan-1-ol
CID 65118223
N-cyclopropyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107305293
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118322
1-[(2,1-benzothiazol-3-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 66354872
N-[(4-methylthiophen-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305049
N-(2,3-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304679
1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 106796244
N-octyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305075

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol (CID 107305006) is 4-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol is CC1CCC(O)(CNc2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 4-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is MHHWOWIBVYJZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-7-2-4-10(18,5-3-7)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 4-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
4-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 4-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 107305006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).