2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C11H19N2O4PS — CID 22280413

IUPAC2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCCOP(=O)(CC(=O)Nc1nc(C)c(C)s1)OCC
InChIInChI=1S/C11H19N2O4PS/c1-5-16-18(15,17-6-2)7-10(14)13-11-12-8(3)9(4)19-11/h5-7H2,1-4H3,(H,12,13,14)
InChIKeyYYTFHLQGRFFDDA-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.96
Rot. Bonds7

About 2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 22280413) has the molecular formula C11H19N2O4PS and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID22280413
Molecular FormulaC11H19N2O4PS
Molecular Weight306.32 g/mol
Exact Mass306.08
IUPAC Name2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCCOP(=O)(CC(=O)Nc1nc(C)c(C)s1)OCC
InChIInChI=1S/C11H19N2O4PS/c1-5-16-18(15,17-6-2)7-10(14)13-11-12-8(3)9(4)19-11/h5-7H2,1-4H3,(H,12,13,14)
InChIKeyYYTFHLQGRFFDDA-UHFFFAOYSA-N
XLogP2.96
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
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 2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 22280413) is 2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is CCOP(=O)(CC(=O)Nc1nc(C)c(C)s1)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is YYTFHLQGRFFDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2O4PS/c1-5-16-18(15,17-6-2)7-10(14)13-11-12-8(3)9(4)19-11/h5-7H2,1-4H3,(H,12,13,14).
What are the key properties of 2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 306.32 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 22280413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).