[2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid

C7H12NO4PS — CID 174776485

IUPAC[2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid
SMILESCCOCC(c1cscn1)P(=O)(O)O
InChIInChI=1S/C7H12NO4PS/c1-2-12-3-7(13(9,10)11)6-4-14-5-8-6/h4-5,7H,2-3H2,1H3,(H2,9,10,11)
InChIKeyRJGSQAAIZRHDMB-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.40
Rot. Bonds5

About [2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid

[2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid (PubChem CID 174776485) has the molecular formula C7H12NO4PS and a molecular weight of 237.22 g/mol. Its IUPAC name is [2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid.

Molecular Properties

Compound Name[2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid
PubChem CID174776485
Molecular FormulaC7H12NO4PS
Molecular Weight237.22 g/mol
Exact Mass237.02
IUPAC Name[2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid
SMILESCCOCC(c1cscn1)P(=O)(O)O
InChIInChI=1S/C7H12NO4PS/c1-2-12-3-7(13(9,10)11)6-4-14-5-8-6/h4-5,7H,2-3H2,1H3,(H2,9,10,11)
InChIKeyRJGSQAAIZRHDMB-UHFFFAOYSA-N
XLogP1.40
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.40
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

[2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]hydrazine
CID 105254368
1,3-thiazol-4-ylmethoxymethylphosphonic acid
CID 22280493
2-diethoxyphosphoryl-1-(1,3-thiazol-4-yl)ethanol
CID 91400840
ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate
CID 104862982
1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine
CID 103271064
4-(dimethylphosphoryloxymethyl)-1,3-thiazole
CID 123710075
4-(diethoxyphosphorylmethyl)-1,3-thiazole
CID 118075361
[2-bromo-2-(1,3-thiazol-4-yl)ethyl] formate
CID 174536644
1,3-thiazol-4-ylmethanediol
CID 59870088
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115878966
4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 115879211
1,3-thiazole-4-carbonyloxymethylphosphonic acid
CID 22280496

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid?
The IUPAC name of [2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid (CID 174776485) is [2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid.
What is the SMILES notation for [2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid?
The canonical SMILES for [2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid is CCOCC(c1cscn1)P(=O)(O)O.
What is the InChIKey of [2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid?
The InChIKey is RJGSQAAIZRHDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO4PS/c1-2-12-3-7(13(9,10)11)6-4-14-5-8-6/h4-5,7H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of [2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid?
[2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid has a molecular weight of 237.22 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid is sourced from PubChem (CID 174776485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).