4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one

C12H20N2O2S — CID 114181260

IUPAC4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(NCc2csc(=O)[nH]2)C1(C)C
InChIInChI=1S/C12H20N2O2S/c1-4-16-10-5-9(12(10,2)3)13-6-8-7-17-11(15)14-8/h7,9-10,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyZOBQVBOVUNBWOM-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.73
Rot. Bonds5

About 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181260) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181260
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(NCc2csc(=O)[nH]2)C1(C)C
InChIInChI=1S/C12H20N2O2S/c1-4-16-10-5-9(12(10,2)3)13-6-8-7-17-11(15)14-8/h7,9-10,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyZOBQVBOVUNBWOM-UHFFFAOYSA-N
XLogP1.73
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-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 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 114181260) is 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one is CCOC1CC(NCc2csc(=O)[nH]2)C1(C)C.
What is the InChIKey of 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ZOBQVBOVUNBWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-16-10-5-9(12(10,2)3)13-6-8-7-17-11(15)14-8/h7,9-10,13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 256.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).