4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine

C11H14IN2O4PS — CID 50993144

IUPAC4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine
SMILESCCOP(=O)(OCC)c1ccc(-c2nc(N)sc2I)o1
InChIInChI=1S/C11H14IN2O4PS/c1-3-16-19(15,17-4-2)8-6-5-7(18-8)9-10(12)20-11(13)14-9/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyVJRTWQIIBURAFA-UHFFFAOYSA-N
MW428.19 g/mol
LogP3.48
Rot. Bonds6

About 4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine

4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine (PubChem CID 50993144) has the molecular formula C11H14IN2O4PS and a molecular weight of 428.19 g/mol. Its IUPAC name is 4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine
PubChem CID50993144
Molecular FormulaC11H14IN2O4PS
Molecular Weight428.19 g/mol
Exact Mass427.95
IUPAC Name4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine
SMILESCCOP(=O)(OCC)c1ccc(-c2nc(N)sc2I)o1
InChIInChI=1S/C11H14IN2O4PS/c1-3-16-19(15,17-4-2)8-6-5-7(18-8)9-10(12)20-11(13)14-9/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyVJRTWQIIBURAFA-UHFFFAOYSA-N
XLogP3.48
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.19
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine 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-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine (CID 50993144) is 4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine is CCOP(=O)(OCC)c1ccc(-c2nc(N)sc2I)o1.
What is the InChIKey of 4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine?
The InChIKey is VJRTWQIIBURAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN2O4PS/c1-3-16-19(15,17-4-2)8-6-5-7(18-8)9-10(12)20-11(13)14-9/h5-6H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of 4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine?
4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine has a molecular weight of 428.19 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-diethoxyphosphorylfuran-2-yl)-5-iodo-1,3-thiazol-2-amine is sourced from PubChem (CID 50993144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).