1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cyclopentan-1-amine

C9H12F3N3OS — CID 107305913

IUPAC1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cyclopentan-1-amine
SMILESNC1(COc2nc(C(F)(F)F)ns2)CCCC1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)6-14-7(17-15-6)16-5-8(13)3-1-2-4-8/h1-5,13H2
InChIKeyKGBHNVOQLOZDJB-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.21
Rot. Bonds3

About 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cyclopentan-1-amine

1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cyclopentan-1-amine (PubChem CID 107305913) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cyclopentan-1-amine
PubChem CID107305913
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cyclopentan-1-amine
SMILESNC1(COc2nc(C(F)(F)F)ns2)CCCC1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)6-14-7(17-15-6)16-5-8(13)3-1-2-4-8/h1-5,13H2
InChIKeyKGBHNVOQLOZDJB-UHFFFAOYSA-N
XLogP2.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
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]oxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cyclopentan-1-amine (CID 107305913) is 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cyclopentan-1-amine is NC1(COc2nc(C(F)(F)F)ns2)CCCC1.
What is the InChIKey of 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cyclopentan-1-amine?
The InChIKey is KGBHNVOQLOZDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c10-9(11,12)6-14-7(17-15-6)16-5-8(13)3-1-2-4-8/h1-5,13H2.
What are the key properties of 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cyclopentan-1-amine?
1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cyclopentan-1-amine has a molecular weight of 267.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 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]oxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 107305913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).