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

C9H12F3N3OS — CID 107305206

IUPAC4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)13-5-1-3-6(16)4-2-5/h5-6,16H,1-4H2,(H,13,14,15)
InChIKeyMKBAXINDWMAVIH-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.27
Rot. Bonds2

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

4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol (PubChem CID 107305206) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol
PubChem CID107305206
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)13-5-1-3-6(16)4-2-5/h5-6,16H,1-4H2,(H,13,14,15)
InChIKeyMKBAXINDWMAVIH-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 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

2-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
CID 65267579
2-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
CID 107304997
N-(2-methyloxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105756901
3-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol
CID 106115687
5-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol
CID 106128464
3-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
CID 106129284
4-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
CID 106130067
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol
CID 107304905
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutan-1-ol
CID 107305024
3-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol
CID 107305025
4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-1-ol
CID 107305051
4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol
CID 107305096

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol (CID 107305206) is 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol?
The InChIKey is MKBAXINDWMAVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)13-5-1-3-6(16)4-2-5/h5-6,16H,1-4H2,(H,13,14,15).
What are the key properties of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol?
4-[[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 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 107305206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).