2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid

C6H8N2O3S — CID 13490301

IUPAC2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1csc(N)n1
InChIInChI=1S/C6H8N2O3S/c1-11-4(5(9)10)3-2-12-6(7)8-3/h2,4H,1H3,(H2,7,8)(H,9,10)
InChIKeyRYSNAPCFBLXTMV-UHFFFAOYSA-N
MW188.21 g/mol
LogP0.50
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid

2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid (PubChem CID 13490301) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid
PubChem CID13490301
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1csc(N)n1
InChIInChI=1S/C6H8N2O3S/c1-11-4(5(9)10)3-2-12-6(7)8-3/h2,4H,1H3,(H2,7,8)(H,9,10)
InChIKeyRYSNAPCFBLXTMV-UHFFFAOYSA-N
XLogP0.50
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid (CID 13490301) is 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid is COC(C(=O)O)c1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid?
The InChIKey is RYSNAPCFBLXTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-11-4(5(9)10)3-2-12-6(7)8-3/h2,4H,1H3,(H2,7,8)(H,9,10).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid?
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid has a molecular weight of 188.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid is sourced from PubChem (CID 13490301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).