2-(1,3-thiazol-5-yl)ethylphosphonic acid

C5H8NO3PS — CID 69038820

IUPAC2-(1,3-thiazol-5-yl)ethylphosphonic acid
SMILESO=P(O)(O)CCc1cncs1
InChIInChI=1S/C5H8NO3PS/c7-10(8,9)2-1-5-3-6-4-11-5/h3-4H,1-2H2,(H2,7,8,9)
InChIKeyKLCXTBDOWHTTGZ-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.86
Rot. Bonds3

About 2-(1,3-thiazol-5-yl)ethylphosphonic acid

2-(1,3-thiazol-5-yl)ethylphosphonic acid (PubChem CID 69038820) has the molecular formula C5H8NO3PS and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)ethylphosphonic acid.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)ethylphosphonic acid
PubChem CID69038820
Molecular FormulaC5H8NO3PS
Molecular Weight193.16 g/mol
Exact Mass193.00
IUPAC Name2-(1,3-thiazol-5-yl)ethylphosphonic acid
SMILESO=P(O)(O)CCc1cncs1
InChIInChI=1S/C5H8NO3PS/c7-10(8,9)2-1-5-3-6-4-11-5/h3-4H,1-2H2,(H2,7,8,9)
InChIKeyKLCXTBDOWHTTGZ-UHFFFAOYSA-N
XLogP0.86
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1,3-thiazol-5-yl)ethylphosphonic acid?
The IUPAC name of 2-(1,3-thiazol-5-yl)ethylphosphonic acid (CID 69038820) is 2-(1,3-thiazol-5-yl)ethylphosphonic acid.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)ethylphosphonic acid?
The canonical SMILES for 2-(1,3-thiazol-5-yl)ethylphosphonic acid is O=P(O)(O)CCc1cncs1.
What is the InChIKey of 2-(1,3-thiazol-5-yl)ethylphosphonic acid?
The InChIKey is KLCXTBDOWHTTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO3PS/c7-10(8,9)2-1-5-3-6-4-11-5/h3-4H,1-2H2,(H2,7,8,9).
What are the key properties of 2-(1,3-thiazol-5-yl)ethylphosphonic acid?
2-(1,3-thiazol-5-yl)ethylphosphonic acid has a molecular weight of 193.16 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)ethylphosphonic acid is sourced from PubChem (CID 69038820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).