4-diethoxyphosphoryl-2-methyl-1,3-thiazole

C8H14NO3PS — CID 13301431

IUPAC4-diethoxyphosphoryl-2-methyl-1,3-thiazole
SMILESCCOP(=O)(OCC)c1csc(C)n1
InChIInChI=1S/C8H14NO3PS/c1-4-11-13(10,12-5-2)8-6-14-7(3)9-8/h6H,4-5H2,1-3H3
InChIKeyBWKQXQAUWVICFK-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.34
Rot. Bonds5

About 4-diethoxyphosphoryl-2-methyl-1,3-thiazole

4-diethoxyphosphoryl-2-methyl-1,3-thiazole (PubChem CID 13301431) has the molecular formula C8H14NO3PS and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-diethoxyphosphoryl-2-methyl-1,3-thiazole
PubChem CID13301431
Molecular FormulaC8H14NO3PS
Molecular Weight235.24 g/mol
Exact Mass235.04
IUPAC Name4-diethoxyphosphoryl-2-methyl-1,3-thiazole
SMILESCCOP(=O)(OCC)c1csc(C)n1
InChIInChI=1S/C8H14NO3PS/c1-4-11-13(10,12-5-2)8-6-14-7(3)9-8/h6H,4-5H2,1-3H3
InChIKeyBWKQXQAUWVICFK-UHFFFAOYSA-N
XLogP2.34
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-diethoxyphosphoryl-2-methyl-1,3-thiazole?
The IUPAC name of 4-diethoxyphosphoryl-2-methyl-1,3-thiazole (CID 13301431) is 4-diethoxyphosphoryl-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-diethoxyphosphoryl-2-methyl-1,3-thiazole?
The canonical SMILES for 4-diethoxyphosphoryl-2-methyl-1,3-thiazole is CCOP(=O)(OCC)c1csc(C)n1.
What is the InChIKey of 4-diethoxyphosphoryl-2-methyl-1,3-thiazole?
The InChIKey is BWKQXQAUWVICFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO3PS/c1-4-11-13(10,12-5-2)8-6-14-7(3)9-8/h6H,4-5H2,1-3H3.
What are the key properties of 4-diethoxyphosphoryl-2-methyl-1,3-thiazole?
4-diethoxyphosphoryl-2-methyl-1,3-thiazole has a molecular weight of 235.24 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-2-methyl-1,3-thiazole is sourced from PubChem (CID 13301431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).