4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole

C9H16NO3PS — CID 166637243

IUPAC4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole
SMILESCCOP(=O)(OCC)[C@H](C)c1cscn1
InChIInChI=1S/C9H16NO3PS/c1-4-12-14(11,13-5-2)8(3)9-6-15-7-10-9/h6-8H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyCQTUYERIVUVLQI-MRVPVSSYSA-N
MW249.27 g/mol
LogP3.47
Rot. Bonds6

About 4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole

4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole (PubChem CID 166637243) has the molecular formula C9H16NO3PS and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole
PubChem CID166637243
Molecular FormulaC9H16NO3PS
Molecular Weight249.27 g/mol
Exact Mass249.06
IUPAC Name4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole
SMILESCCOP(=O)(OCC)[C@H](C)c1cscn1
InChIInChI=1S/C9H16NO3PS/c1-4-12-14(11,13-5-2)8(3)9-6-15-7-10-9/h6-8H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyCQTUYERIVUVLQI-MRVPVSSYSA-N
XLogP3.47
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(1R)-1-diethoxyphosphorylethyl]-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

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole?
The IUPAC name of 4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole (CID 166637243) is 4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole.
What is the SMILES notation for 4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole?
The canonical SMILES for 4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole is CCOP(=O)(OCC)[C@H](C)c1cscn1.
What is the InChIKey of 4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole?
The InChIKey is CQTUYERIVUVLQI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16NO3PS/c1-4-12-14(11,13-5-2)8(3)9-6-15-7-10-9/h6-8H,4-5H2,1-3H3/t8-/m1/s1.
What are the key properties of 4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole?
4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole has a molecular weight of 249.27 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-diethoxyphosphorylethyl]-1,3-thiazole is sourced from PubChem (CID 166637243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).