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

C8H8F3N3O2S — CID 107304321

IUPAC2-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
SMILESO=C(O)C(Nc1nc(C(F)(F)F)ns1)C1CC1
InChIInChI=1S/C8H8F3N3O2S/c9-8(10,11)6-13-7(17-14-6)12-4(5(15)16)3-1-2-3/h3-4H,1-2H2,(H,15,16)(H,12,13,14)
InChIKeyXEQCGJPSCNYKOJ-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.83
Rot. Bonds4

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

2-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid (PubChem CID 107304321) has the molecular formula C8H8F3N3O2S and a molecular weight of 267.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
PubChem CID107304321
Molecular FormulaC8H8F3N3O2S
Molecular Weight267.23 g/mol
Exact Mass267.03
IUPAC Name2-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
SMILESO=C(O)C(Nc1nc(C(F)(F)F)ns1)C1CC1
InChIInChI=1S/C8H8F3N3O2S/c9-8(10,11)6-13-7(17-14-6)12-4(5(15)16)3-1-2-3/h3-4H,1-2H2,(H,15,16)(H,12,13,14)
InChIKeyXEQCGJPSCNYKOJ-UHFFFAOYSA-N
XLogP1.83
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid (CID 107304321) is 2-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid is O=C(O)C(Nc1nc(C(F)(F)F)ns1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The InChIKey is XEQCGJPSCNYKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2S/c9-8(10,11)6-13-7(17-14-6)12-4(5(15)16)3-1-2-3/h3-4H,1-2H2,(H,15,16)(H,12,13,14).
What are the key properties of 2-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
2-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid has a molecular weight of 267.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid is sourced from PubChem (CID 107304321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).