5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C11H17N4O2PS — CID 167955055

IUPAC5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2csc(CCP(C)(C)=O)n2)n1
InChIInChI=1S/C11H17N4O2PS/c1-15(2)11-13-10(17-14-11)8-7-19-9(12-8)5-6-18(3,4)16/h7H,5-6H2,1-4H3
InChIKeyLSJKUNLCSHWSGW-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.42
Rot. Bonds5

About 5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 167955055) has the molecular formula C11H17N4O2PS and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID167955055
Molecular FormulaC11H17N4O2PS
Molecular Weight300.32 g/mol
Exact Mass300.08
IUPAC Name5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2csc(CCP(C)(C)=O)n2)n1
InChIInChI=1S/C11H17N4O2PS/c1-15(2)11-13-10(17-14-11)8-7-19-9(12-8)5-6-18(3,4)16/h7H,5-6H2,1-4H3
InChIKeyLSJKUNLCSHWSGW-UHFFFAOYSA-N
XLogP2.42
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-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 5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 167955055) is 5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(-c2csc(CCP(C)(C)=O)n2)n1.
What is the InChIKey of 5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is LSJKUNLCSHWSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N4O2PS/c1-15(2)11-13-10(17-14-11)8-7-19-9(12-8)5-6-18(3,4)16/h7H,5-6H2,1-4H3.
What are the key properties of 5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 300.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-dimethylphosphorylethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 167955055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).