3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one

C9H16N2O2S — CID 103482352

IUPAC3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCOCCN)c1C
InChIInChI=1S/C9H16N2O2S/c1-7-8(2)14-9(12)11(7)4-6-13-5-3-10/h3-6,10H2,1-2H3
InChIKeyVKNNAUPCNBTMHA-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.50
Rot. Bonds5

About 3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 103482352) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID103482352
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCOCCN)c1C
InChIInChI=1S/C9H16N2O2S/c1-7-8(2)14-9(12)11(7)4-6-13-5-3-10/h3-6,10H2,1-2H3
InChIKeyVKNNAUPCNBTMHA-UHFFFAOYSA-N
XLogP0.50
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 103482352) is 3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CCOCCN)c1C.
What is the InChIKey of 3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is VKNNAUPCNBTMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-7-8(2)14-9(12)11(7)4-6-13-5-3-10/h3-6,10H2,1-2H3.
What are the key properties of 3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 216.31 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 103482352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).