2-[ethyl(1,3-thiazol-4-yl)amino]acetic acid

C7H10N2O2S — CID 69201905

IUPAC2-[ethyl(1,3-thiazol-4-yl)amino]acetic acid
SMILESCCN(CC(=O)O)c1cscn1
InChIInChI=1S/C7H10N2O2S/c1-2-9(3-7(10)11)6-4-12-5-8-6/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyLSBYXYJGLIEZFS-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.05
Rot. Bonds4

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

2-[ethyl(1,3-thiazol-4-yl)amino]acetic acid (PubChem CID 69201905) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-[ethyl(1,3-thiazol-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(1,3-thiazol-4-yl)amino]acetic acid
PubChem CID69201905
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-[ethyl(1,3-thiazol-4-yl)amino]acetic acid
SMILESCCN(CC(=O)O)c1cscn1
InChIInChI=1S/C7H10N2O2S/c1-2-9(3-7(10)11)6-4-12-5-8-6/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyLSBYXYJGLIEZFS-UHFFFAOYSA-N
XLogP1.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1,3-thiazol-4-yl)amino]acetic acid?
The IUPAC name of 2-[ethyl(1,3-thiazol-4-yl)amino]acetic acid (CID 69201905) is 2-[ethyl(1,3-thiazol-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(1,3-thiazol-4-yl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(1,3-thiazol-4-yl)amino]acetic acid is CCN(CC(=O)O)c1cscn1.
What is the InChIKey of 2-[ethyl(1,3-thiazol-4-yl)amino]acetic acid?
The InChIKey is LSBYXYJGLIEZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-9(3-7(10)11)6-4-12-5-8-6/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-[ethyl(1,3-thiazol-4-yl)amino]acetic acid?
2-[ethyl(1,3-thiazol-4-yl)amino]acetic acid has a molecular weight of 186.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1,3-thiazol-4-yl)amino]acetic acid is sourced from PubChem (CID 69201905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).