N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide

C12H19N2O5PS — CID 53316480

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide
SMILESCCOP(=O)(CC(=O)Nc1nc(C)c(C(C)=O)s1)OCC
InChIInChI=1S/C12H19N2O5PS/c1-5-18-20(17,19-6-2)7-10(16)14-12-13-8(3)11(21-12)9(4)15/h5-7H2,1-4H3,(H,13,14,16)
InChIKeySBEXIARDOMIHHC-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.86
Rot. Bonds8

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide (PubChem CID 53316480) has the molecular formula C12H19N2O5PS and a molecular weight of 334.33 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide
PubChem CID53316480
Molecular FormulaC12H19N2O5PS
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide
SMILESCCOP(=O)(CC(=O)Nc1nc(C)c(C(C)=O)s1)OCC
InChIInChI=1S/C12H19N2O5PS/c1-5-18-20(17,19-6-2)7-10(16)14-12-13-8(3)11(21-12)9(4)15/h5-7H2,1-4H3,(H,13,14,16)
InChIKeySBEXIARDOMIHHC-UHFFFAOYSA-N
XLogP2.86
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide (CID 53316480) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide is CCOP(=O)(CC(=O)Nc1nc(C)c(C(C)=O)s1)OCC.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide?
The InChIKey is SBEXIARDOMIHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2O5PS/c1-5-18-20(17,19-6-2)7-10(16)14-12-13-8(3)11(21-12)9(4)15/h5-7H2,1-4H3,(H,13,14,16).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide has a molecular weight of 334.33 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-diethoxyphosphorylacetamide is sourced from PubChem (CID 53316480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).