4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole

C11H14NO2PS — CID 141021971

IUPAC4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole
SMILESCCP(=O)(CC)c1ccoc1-c1cscn1
InChIInChI=1S/C11H14NO2PS/c1-3-15(13,4-2)10-5-6-14-11(10)9-7-16-8-12-9/h5-8H,3-4H2,1-2H3
InChIKeyGAKJCCPNCPUPIO-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.43
Rot. Bonds4

About 4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole

4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole (PubChem CID 141021971) has the molecular formula C11H14NO2PS and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole
PubChem CID141021971
Molecular FormulaC11H14NO2PS
Molecular Weight255.28 g/mol
Exact Mass255.05
IUPAC Name4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole
SMILESCCP(=O)(CC)c1ccoc1-c1cscn1
InChIInChI=1S/C11H14NO2PS/c1-3-15(13,4-2)10-5-6-14-11(10)9-7-16-8-12-9/h5-8H,3-4H2,1-2H3
InChIKeyGAKJCCPNCPUPIO-UHFFFAOYSA-N
XLogP3.43
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole?
The IUPAC name of 4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole (CID 141021971) is 4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole is CCP(=O)(CC)c1ccoc1-c1cscn1.
What is the InChIKey of 4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole?
The InChIKey is GAKJCCPNCPUPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO2PS/c1-3-15(13,4-2)10-5-6-14-11(10)9-7-16-8-12-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole?
4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole has a molecular weight of 255.28 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-diethylphosphorylfuran-2-yl)-1,3-thiazole is sourced from PubChem (CID 141021971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).