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

C5H4F3N3O2S — CID 107304270

IUPAC2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H4F3N3O2S/c6-5(7,8)3-10-4(14-11-3)9-1-2(12)13/h1H2,(H,12,13)(H,9,10,11)
InChIKeyBRUUBTCAVGUEPE-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.05
Rot. Bonds3

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

2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid (PubChem CID 107304270) has the molecular formula C5H4F3N3O2S and a molecular weight of 227.17 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
PubChem CID107304270
Molecular FormulaC5H4F3N3O2S
Molecular Weight227.17 g/mol
Exact Mass227.00
IUPAC Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H4F3N3O2S/c6-5(7,8)3-10-4(14-11-3)9-1-2(12)13/h1H2,(H,12,13)(H,9,10,11)
InChIKeyBRUUBTCAVGUEPE-UHFFFAOYSA-N
XLogP1.05
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid (CID 107304270) is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid is O=C(O)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The InChIKey is BRUUBTCAVGUEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2S/c6-5(7,8)3-10-4(14-11-3)9-1-2(12)13/h1H2,(H,12,13)(H,9,10,11).
What are the key properties of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid has a molecular weight of 227.17 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid is sourced from PubChem (CID 107304270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).