3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one

C8H14N2OS — CID 60673072

IUPAC3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCCNCCn1c(C)csc1=O
InChIInChI=1S/C8H14N2OS/c1-3-9-4-5-10-7(2)6-12-8(10)11/h6,9H,3-5H2,1-2H3
InChIKeyGEIBJALSRQUSQE-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.83
Rot. Bonds4

About 3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one

3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 60673072) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID60673072
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCCNCCn1c(C)csc1=O
InChIInChI=1S/C8H14N2OS/c1-3-9-4-5-10-7(2)6-12-8(10)11/h6,9H,3-5H2,1-2H3
InChIKeyGEIBJALSRQUSQE-UHFFFAOYSA-N
XLogP0.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one 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 3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one (CID 60673072) is 3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one is CCNCCn1c(C)csc1=O.
What is the InChIKey of 3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is GEIBJALSRQUSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-9-4-5-10-7(2)6-12-8(10)11/h6,9H,3-5H2,1-2H3.
What are the key properties of 3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 186.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 60673072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).