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

C13H23N3O2S — CID 106381911

IUPAC4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(N)(CNCc2csc(=O)[nH]2)C1(C)C
InChIInChI=1S/C13H23N3O2S/c1-4-18-10-5-13(14,12(10,2)3)8-15-6-9-7-19-11(17)16-9/h7,10,15H,4-6,8,14H2,1-3H3,(H,16,17)
InChIKeyHDUGOYDXERWHTR-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.06
Rot. Bonds6

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

4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381911) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381911
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(N)(CNCc2csc(=O)[nH]2)C1(C)C
InChIInChI=1S/C13H23N3O2S/c1-4-18-10-5-13(14,12(10,2)3)8-15-6-9-7-19-11(17)16-9/h7,10,15H,4-6,8,14H2,1-3H3,(H,16,17)
InChIKeyHDUGOYDXERWHTR-UHFFFAOYSA-N
XLogP1.06
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379626
4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379702
4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380209
4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380437
1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 106381232
4-[[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381773
4-[[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381850
4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181260
4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181302
4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181317
4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181339

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381911) is 4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one is CCOC1CC(N)(CNCc2csc(=O)[nH]2)C1(C)C.
What is the InChIKey of 4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is HDUGOYDXERWHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-18-10-5-13(14,12(10,2)3)8-15-6-9-7-19-11(17)16-9/h7,10,15H,4-6,8,14H2,1-3H3,(H,16,17).
What are the key properties of 4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 285.41 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).