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

C10H14F3N3OS — CID 106129284

IUPAC3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)8-15-9(18-16-8)14-5-6-2-1-3-7(17)4-6/h6-7,17H,1-5H2,(H,14,15,16)
InChIKeyRPHPMFRFDULRCF-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.52
Rot. Bonds3

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

3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 106129284) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
PubChem CID106129284
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)8-15-9(18-16-8)14-5-6-2-1-3-7(17)4-6/h6-7,17H,1-5H2,(H,14,15,16)
InChIKeyRPHPMFRFDULRCF-UHFFFAOYSA-N
XLogP2.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
CID 107304997
3-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol
CID 106115687
4-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
CID 106130067
2-Methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-1-ol
CID 106158371
3-Ethyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol
CID 106287854
[2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol
CID 106362059
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol
CID 107304905
3-Methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
CID 107305008
2-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol
CID 107305019
[2-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentyl]methanol
CID 107305020
[2-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexyl]methanol
CID 107305021
3-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol
CID 107305025

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol (CID 106129284) is 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol is OC1CCCC(CNc2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is RPHPMFRFDULRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c11-10(12,13)8-15-9(18-16-8)14-5-6-2-1-3-7(17)4-6/h6-7,17H,1-5H2,(H,14,15,16).
What are the key properties of 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 281.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106129284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).