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

C12H18N4O3S — CID 102926552

IUPAC4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc(CCOCCOC)no1
InChIInChI=1S/C12H18N4O3S/c1-8-10(12(13-2)20-16-8)11-14-9(15-19-11)4-5-18-7-6-17-3/h13H,4-7H2,1-3H3
InChIKeyQKLGOAIEJSTOLW-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.75
Rot. Bonds8

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

4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine (PubChem CID 102926552) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
PubChem CID102926552
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc(CCOCCOC)no1
InChIInChI=1S/C12H18N4O3S/c1-8-10(12(13-2)20-16-8)11-14-9(15-19-11)4-5-18-7-6-17-3/h13H,4-7H2,1-3H3
InChIKeyQKLGOAIEJSTOLW-UHFFFAOYSA-N
XLogP1.75
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine (CID 102926552) is 4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine is CNc1snc(C)c1-c1nc(CCOCCOC)no1.
What is the InChIKey of 4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The InChIKey is QKLGOAIEJSTOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-8-10(12(13-2)20-16-8)11-14-9(15-19-11)4-5-18-7-6-17-3/h13H,4-7H2,1-3H3.
What are the key properties of 4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine has a molecular weight of 298.37 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine is sourced from PubChem (CID 102926552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).