2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid

C7H7F3N2O2S — CID 122058261

IUPAC2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid
SMILESCC(Nc1ncc(C(F)(F)F)s1)C(=O)O
InChIInChI=1S/C7H7F3N2O2S/c1-3(5(13)14)12-6-11-2-4(15-6)7(8,9)10/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeySBIVSACFBZYAAF-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.05
Rot. Bonds3

About 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid

2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid (PubChem CID 122058261) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid
PubChem CID122058261
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid
SMILESCC(Nc1ncc(C(F)(F)F)s1)C(=O)O
InChIInChI=1S/C7H7F3N2O2S/c1-3(5(13)14)12-6-11-2-4(15-6)7(8,9)10/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeySBIVSACFBZYAAF-UHFFFAOYSA-N
XLogP2.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid?
The IUPAC name of 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid (CID 122058261) is 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid?
The canonical SMILES for 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid is CC(Nc1ncc(C(F)(F)F)s1)C(=O)O.
What is the InChIKey of 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid?
The InChIKey is SBIVSACFBZYAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c1-3(5(13)14)12-6-11-2-4(15-6)7(8,9)10/h2-3H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid?
2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid has a molecular weight of 240.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid is sourced from PubChem (CID 122058261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).