2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid

C8H7F3N2O4S — CID 138001968

IUPAC2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1c(C(F)(F)F)csc1=O
InChIInChI=1S/C8H7F3N2O4S/c9-8(10,11)4-3-18-7(17)13(4)2-5(14)12-1-6(15)16/h3H,1-2H2,(H,12,14)(H,15,16)
InChIKeyBTCDWNPNUYEBBU-UHFFFAOYSA-N
MW284.22 g/mol
LogP0.13
Rot. Bonds4

About 2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid

2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid (PubChem CID 138001968) has the molecular formula C8H7F3N2O4S and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid
PubChem CID138001968
Molecular FormulaC8H7F3N2O4S
Molecular Weight284.22 g/mol
Exact Mass284.01
IUPAC Name2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1c(C(F)(F)F)csc1=O
InChIInChI=1S/C8H7F3N2O4S/c9-8(10,11)4-3-18-7(17)13(4)2-5(14)12-1-6(15)16/h3H,1-2H2,(H,12,14)(H,15,16)
InChIKeyBTCDWNPNUYEBBU-UHFFFAOYSA-N
XLogP0.13
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid (CID 138001968) is 2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid is O=C(O)CNC(=O)Cn1c(C(F)(F)F)csc1=O.
What is the InChIKey of 2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid?
The InChIKey is BTCDWNPNUYEBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O4S/c9-8(10,11)4-3-18-7(17)13(4)2-5(14)12-1-6(15)16/h3H,1-2H2,(H,12,14)(H,15,16).
What are the key properties of 2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid?
2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid has a molecular weight of 284.22 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 138001968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).