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

C9H10F3N3O2S — CID 107304294

IUPAC1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Nc2nc(C(F)(F)F)ns2)CCCC1
InChIInChI=1S/C9H10F3N3O2S/c10-9(11,12)5-13-7(18-15-5)14-8(6(16)17)3-1-2-4-8/h1-4H2,(H,16,17)(H,13,14,15)
InChIKeyHCWARQZNYPAXII-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.37
Rot. Bonds3

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

1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid (PubChem CID 107304294) has the molecular formula C9H10F3N3O2S and a molecular weight of 281.26 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid
PubChem CID107304294
Molecular FormulaC9H10F3N3O2S
Molecular Weight281.26 g/mol
Exact Mass281.04
IUPAC Name1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Nc2nc(C(F)(F)F)ns2)CCCC1
InChIInChI=1S/C9H10F3N3O2S/c10-9(11,12)5-13-7(18-15-5)14-8(6(16)17)3-1-2-4-8/h1-4H2,(H,16,17)(H,13,14,15)
InChIKeyHCWARQZNYPAXII-UHFFFAOYSA-N
XLogP2.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid (CID 107304294) is 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid is O=C(O)C1(Nc2nc(C(F)(F)F)ns2)CCCC1.
What is the InChIKey of 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is HCWARQZNYPAXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2S/c10-9(11,12)5-13-7(18-15-5)14-8(6(16)17)3-1-2-4-8/h1-4H2,(H,16,17)(H,13,14,15).
What are the key properties of 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid?
1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 281.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107304294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).