[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid

C5H7N2O4PS — CID 22280491

IUPAC[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid
SMILESO=C(CP(=O)(O)O)Nc1nccs1
InChIInChI=1S/C5H7N2O4PS/c8-4(3-12(9,10)11)7-5-6-1-2-13-5/h1-2H,3H2,(H,6,7,8)(H2,9,10,11)
InChIKeyLFYOMNCPSRIJKI-UHFFFAOYSA-N
MW222.16 g/mol
LogP0.26
Rot. Bonds3

About [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid

[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid (PubChem CID 22280491) has the molecular formula C5H7N2O4PS and a molecular weight of 222.16 g/mol. Its IUPAC name is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid.

Molecular Properties

Compound Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid
PubChem CID22280491
Molecular FormulaC5H7N2O4PS
Molecular Weight222.16 g/mol
Exact Mass221.99
IUPAC Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid
SMILESO=C(CP(=O)(O)O)Nc1nccs1
InChIInChI=1S/C5H7N2O4PS/c8-4(3-12(9,10)11)7-5-6-1-2-13-5/h1-2H,3H2,(H,6,7,8)(H2,9,10,11)
InChIKeyLFYOMNCPSRIJKI-UHFFFAOYSA-N
XLogP0.26
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid?
The IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid (CID 22280491) is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid.
What is the SMILES notation for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid?
The canonical SMILES for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid is O=C(CP(=O)(O)O)Nc1nccs1.
What is the InChIKey of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid?
The InChIKey is LFYOMNCPSRIJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2O4PS/c8-4(3-12(9,10)11)7-5-6-1-2-13-5/h1-2H,3H2,(H,6,7,8)(H2,9,10,11).
What are the key properties of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid?
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid has a molecular weight of 222.16 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid is sourced from PubChem (CID 22280491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).