4-(diethoxyphosphorylmethyl)-1,3-thiazole

C8H14NO3PS — CID 118075361

IUPAC4-(diethoxyphosphorylmethyl)-1,3-thiazole
SMILESCCOP(=O)(Cc1cscn1)OCC
InChIInChI=1S/C8H14NO3PS/c1-3-11-13(10,12-4-2)5-8-6-14-7-9-8/h6-7H,3-5H2,1-2H3
InChIKeyYWAAHGDJCYIXIP-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.91
Rot. Bonds6

About 4-(diethoxyphosphorylmethyl)-1,3-thiazole

4-(diethoxyphosphorylmethyl)-1,3-thiazole (PubChem CID 118075361) has the molecular formula C8H14NO3PS and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-(diethoxyphosphorylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(diethoxyphosphorylmethyl)-1,3-thiazole
PubChem CID118075361
Molecular FormulaC8H14NO3PS
Molecular Weight235.24 g/mol
Exact Mass235.04
IUPAC Name4-(diethoxyphosphorylmethyl)-1,3-thiazole
SMILESCCOP(=O)(Cc1cscn1)OCC
InChIInChI=1S/C8H14NO3PS/c1-3-11-13(10,12-4-2)5-8-6-14-7-9-8/h6-7H,3-5H2,1-2H3
InChIKeyYWAAHGDJCYIXIP-UHFFFAOYSA-N
XLogP2.91
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(diethoxyphosphorylmethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dimethylphosphoryloxymethyl)-1,3-thiazole
CID 123710075
2-diethoxyphosphoryl-1-(1,3-thiazol-4-yl)ethanol
CID 91400840
4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane
CID 159390747
4-(diethoxyphosphorylmethyl)pyrimidine
CID 166731479
4-(diethoxyphosphorylmethyl)-1-tritylimidazole
CID 2763175
2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole
CID 154793219
1,3-thiazol-4-ylmethoxymethylphosphonic acid
CID 22280493
4-(diethoxyphosphorylmethyl)-1,3-benzothiazole
CID 171779196
[2-ethoxy-1-(1,3-thiazol-4-yl)ethyl]phosphonic acid
CID 174776485
4-(6-methoxyhexyl)-1,3-thiazole
CID 67276018
4-(fluoromethyl)-1,3-thiazole
CID 76551954
1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
CID 63811075

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxyphosphorylmethyl)-1,3-thiazole?
The IUPAC name of 4-(diethoxyphosphorylmethyl)-1,3-thiazole (CID 118075361) is 4-(diethoxyphosphorylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(diethoxyphosphorylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(diethoxyphosphorylmethyl)-1,3-thiazole is CCOP(=O)(Cc1cscn1)OCC.
What is the InChIKey of 4-(diethoxyphosphorylmethyl)-1,3-thiazole?
The InChIKey is YWAAHGDJCYIXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO3PS/c1-3-11-13(10,12-4-2)5-8-6-14-7-9-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-(diethoxyphosphorylmethyl)-1,3-thiazole?
4-(diethoxyphosphorylmethyl)-1,3-thiazole has a molecular weight of 235.24 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxyphosphorylmethyl)-1,3-thiazole is sourced from PubChem (CID 118075361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).