3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexane-1-carboxylic acid

C10H12F3N3O2S — CID 107304328

IUPAC3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(Nc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)8-15-9(19-16-8)14-6-3-1-2-5(4-6)7(17)18/h5-6H,1-4H2,(H,17,18)(H,14,15,16)
InChIKeyVUTPUDQHKWNXNH-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.61
Rot. Bonds3

About 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexane-1-carboxylic acid

3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexane-1-carboxylic acid (PubChem CID 107304328) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexane-1-carboxylic acid
PubChem CID107304328
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(Nc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)8-15-9(19-16-8)14-6-3-1-2-5(4-6)7(17)18/h5-6H,1-4H2,(H,17,18)(H,14,15,16)
InChIKeyVUTPUDQHKWNXNH-UHFFFAOYSA-N
XLogP2.61
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexane-1-carboxylic acid (CID 107304328) is 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(Nc2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is VUTPUDQHKWNXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c11-10(12,13)8-15-9(19-16-8)14-6-3-1-2-5(4-6)7(17)18/h5-6H,1-4H2,(H,17,18)(H,14,15,16).
What are the key properties of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexane-1-carboxylic acid?
3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 2.61, 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]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107304328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).