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

C9H12F3N3OS — CID 107304905

IUPAC2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)13-5-3-1-2-4-6(5)16/h5-6,16H,1-4H2,(H,13,14,15)
InChIKeyYSHYTYAGVMCMNN-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.27
Rot. Bonds2

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

2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol (PubChem CID 107304905) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol
PubChem CID107304905
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)13-5-3-1-2-4-6(5)16/h5-6,16H,1-4H2,(H,13,14,15)
InChIKeyYSHYTYAGVMCMNN-UHFFFAOYSA-N
XLogP2.27
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol (CID 107304905) is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol is OC1CCCCC1Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol?
The InChIKey is YSHYTYAGVMCMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)13-5-3-1-2-4-6(5)16/h5-6,16H,1-4H2,(H,13,14,15).
What are the key properties of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol?
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol has a molecular weight of 267.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 107304905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).