6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole

C15H16ClN2O3PS — CID 132516195

IUPAC6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole
SMILESCCOP(=O)(OCC)c1c(-c2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C15H16ClN2O3PS/c1-3-20-22(19,21-4-2)14-13(11-5-7-12(16)8-6-11)17-15-18(14)9-10-23-15/h5-10H,3-4H2,1-2H3
InChIKeyOYYPYCUZZUYAIP-UHFFFAOYSA-N
MW370.80 g/mol
LogP4.61
Rot. Bonds6

About 6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole

6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole (PubChem CID 132516195) has the molecular formula C15H16ClN2O3PS and a molecular weight of 370.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole
PubChem CID132516195
Molecular FormulaC15H16ClN2O3PS
Molecular Weight370.80 g/mol
Exact Mass370.03
IUPAC Name6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole
SMILESCCOP(=O)(OCC)c1c(-c2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C15H16ClN2O3PS/c1-3-20-22(19,21-4-2)14-13(11-5-7-12(16)8-6-11)17-15-18(14)9-10-23-15/h5-10H,3-4H2,1-2H3
InChIKeyOYYPYCUZZUYAIP-UHFFFAOYSA-N
XLogP4.61
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][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 6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole (CID 132516195) is 6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole is CCOP(=O)(OCC)c1c(-c2ccc(Cl)cc2)nc2sccn12.
What is the InChIKey of 6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole?
The InChIKey is OYYPYCUZZUYAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN2O3PS/c1-3-20-22(19,21-4-2)14-13(11-5-7-12(16)8-6-11)17-15-18(14)9-10-23-15/h5-10H,3-4H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole?
6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole has a molecular weight of 370.80 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 132516195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).