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

C11H8F3N3O2S — CID 107304313

IUPAC2-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
SMILESO=C(O)C(Nc1nc(C(F)(F)F)ns1)c1ccccc1
InChIInChI=1S/C11H8F3N3O2S/c12-11(13,14)9-16-10(20-17-9)15-7(8(18)19)6-4-2-1-3-5-6/h1-5,7H,(H,18,19)(H,15,16,17)
InChIKeyWIKGOWATDRBMTP-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.79
Rot. Bonds4

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

2-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid (PubChem CID 107304313) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid.

Molecular Properties

Compound Name2-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
PubChem CID107304313
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name2-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
SMILESO=C(O)C(Nc1nc(C(F)(F)F)ns1)c1ccccc1
InChIInChI=1S/C11H8F3N3O2S/c12-11(13,14)9-16-10(20-17-9)15-7(8(18)19)6-4-2-1-3-5-6/h1-5,7H,(H,18,19)(H,15,16,17)
InChIKeyWIKGOWATDRBMTP-UHFFFAOYSA-N
XLogP2.79
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The IUPAC name of 2-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid (CID 107304313) is 2-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid.
What is the SMILES notation for 2-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The canonical SMILES for 2-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid is O=C(O)C(Nc1nc(C(F)(F)F)ns1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
The InChIKey is WIKGOWATDRBMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c12-11(13,14)9-16-10(20-17-9)15-7(8(18)19)6-4-2-1-3-5-6/h1-5,7H,(H,18,19)(H,15,16,17).
What are the key properties of 2-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid?
2-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid has a molecular weight of 303.27 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid is sourced from PubChem (CID 107304313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).