4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole

C16H24NO4PS — CID 50993216

IUPAC4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole
SMILESCCOP(=O)(OCC)c1ccc(-c2nc(C)sc2CC(C)C)o1
InChIInChI=1S/C16H24NO4PS/c1-6-19-22(18,20-7-2)15-9-8-13(21-15)16-14(10-11(3)4)23-12(5)17-16/h8-9,11H,6-7,10H2,1-5H3
InChIKeyQRCZEZGNQUBTDY-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.80
Rot. Bonds8

About 4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole

4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole (PubChem CID 50993216) has the molecular formula C16H24NO4PS and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole
PubChem CID50993216
Molecular FormulaC16H24NO4PS
Molecular Weight357.41 g/mol
Exact Mass357.12
IUPAC Name4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole
SMILESCCOP(=O)(OCC)c1ccc(-c2nc(C)sc2CC(C)C)o1
InChIInChI=1S/C16H24NO4PS/c1-6-19-22(18,20-7-2)15-9-8-13(21-15)16-14(10-11(3)4)23-12(5)17-16/h8-9,11H,6-7,10H2,1-5H3
InChIKeyQRCZEZGNQUBTDY-UHFFFAOYSA-N
XLogP4.80
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole (CID 50993216) is 4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole is CCOP(=O)(OCC)c1ccc(-c2nc(C)sc2CC(C)C)o1.
What is the InChIKey of 4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole?
The InChIKey is QRCZEZGNQUBTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24NO4PS/c1-6-19-22(18,20-7-2)15-9-8-13(21-15)16-14(10-11(3)4)23-12(5)17-16/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of 4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole?
4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole has a molecular weight of 357.41 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 50993216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).