1,3-thiazol-4-ylmethoxymethylphosphonic acid

C5H8NO4PS — CID 22280493

IUPAC1,3-thiazol-4-ylmethoxymethylphosphonic acid
SMILESO=P(O)(O)COCc1cscn1
InChIInChI=1S/C5H8NO4PS/c7-11(8,9)4-10-1-5-2-12-3-6-5/h2-3H,1,4H2,(H2,7,8,9)
InChIKeyFJGRFJMUILFVHN-UHFFFAOYSA-N
MW209.16 g/mol
LogP0.79
Rot. Bonds4

About 1,3-thiazol-4-ylmethoxymethylphosphonic acid

1,3-thiazol-4-ylmethoxymethylphosphonic acid (PubChem CID 22280493) has the molecular formula C5H8NO4PS and a molecular weight of 209.16 g/mol. Its IUPAC name is 1,3-thiazol-4-ylmethoxymethylphosphonic acid.

Molecular Properties

Compound Name1,3-thiazol-4-ylmethoxymethylphosphonic acid
PubChem CID22280493
Molecular FormulaC5H8NO4PS
Molecular Weight209.16 g/mol
Exact Mass208.99
IUPAC Name1,3-thiazol-4-ylmethoxymethylphosphonic acid
SMILESO=P(O)(O)COCc1cscn1
InChIInChI=1S/C5H8NO4PS/c7-11(8,9)4-10-1-5-2-12-3-6-5/h2-3H,1,4H2,(H2,7,8,9)
InChIKeyFJGRFJMUILFVHN-UHFFFAOYSA-N
XLogP0.79
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylphosphoryloxymethyl)-1,3-thiazole
CID 123710075
[2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid
CID 174776485
1,3-thiazole-4-carbonyloxymethylphosphonic acid
CID 22280496
pyrimidin-2-ylmethoxymethylphosphonic acid
CID 21469983
1,3-thiazol-4-ylmethyl acetate
CID 45117618
4-(diethoxyphosphorylmethyl)-1,3-thiazole
CID 118075361
1H-1,2,4-triazol-5-ylmethoxymethylphosphonic acid
CID 54085779
2-(1,3-thiazol-4-yl)acetohydrazide
CID 53297918
4-(fluoromethyl)-1,3-thiazole
CID 76551954
N-ethyl-2-(1,3-thiazol-4-yl)acetamide
CID 110462780
5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid
CID 90389464
1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine
CID 103271064

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-ylmethoxymethylphosphonic acid?
The IUPAC name of 1,3-thiazol-4-ylmethoxymethylphosphonic acid (CID 22280493) is 1,3-thiazol-4-ylmethoxymethylphosphonic acid.
What is the SMILES notation for 1,3-thiazol-4-ylmethoxymethylphosphonic acid?
The canonical SMILES for 1,3-thiazol-4-ylmethoxymethylphosphonic acid is O=P(O)(O)COCc1cscn1.
What is the InChIKey of 1,3-thiazol-4-ylmethoxymethylphosphonic acid?
The InChIKey is FJGRFJMUILFVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO4PS/c7-11(8,9)4-10-1-5-2-12-3-6-5/h2-3H,1,4H2,(H2,7,8,9).
What are the key properties of 1,3-thiazol-4-ylmethoxymethylphosphonic acid?
1,3-thiazol-4-ylmethoxymethylphosphonic acid has a molecular weight of 209.16 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-ylmethoxymethylphosphonic acid is sourced from PubChem (CID 22280493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).