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

C10H12F3N3O2S — CID 107304280

IUPAC2-[cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
SMILESO=C(O)CN(c1nc(C(F)(F)F)ns1)C1CCCC1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)8-14-9(19-15-8)16(5-7(17)18)6-3-1-2-4-6/h6H,1-5H2,(H,17,18)
InChIKeyGSHTUTXIKUOITM-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.39
Rot. Bonds4

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

2-[cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid (PubChem CID 107304280) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
PubChem CID107304280
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name2-[cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
SMILESO=C(O)CN(c1nc(C(F)(F)F)ns1)C1CCCC1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)8-14-9(19-15-8)16(5-7(17)18)6-3-1-2-4-6/h6H,1-5H2,(H,17,18)
InChIKeyGSHTUTXIKUOITM-UHFFFAOYSA-N
XLogP2.39
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid (CID 107304280) is 2-[cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid is O=C(O)CN(c1nc(C(F)(F)F)ns1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The InChIKey is GSHTUTXIKUOITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c11-10(12,13)8-14-9(19-15-8)16(5-7(17)18)6-3-1-2-4-6/h6H,1-5H2,(H,17,18).
What are the key properties of 2-[cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
2-[cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid has a molecular weight of 295.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid is sourced from PubChem (CID 107304280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).