4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one

C14H24N2O2S — CID 106380209

IUPAC4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)COC1CC(NCc2csc(=O)[nH]2)C1(C)C
InChIInChI=1S/C14H24N2O2S/c1-9(2)7-18-12-5-11(14(12,3)4)15-6-10-8-19-13(17)16-10/h8-9,11-12,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyIGBPUOJWNPYREZ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.37
Rot. Bonds6

About 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380209) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380209
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)COC1CC(NCc2csc(=O)[nH]2)C1(C)C
InChIInChI=1S/C14H24N2O2S/c1-9(2)7-18-12-5-11(14(12,3)4)15-6-10-8-19-13(17)16-10/h8-9,11-12,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyIGBPUOJWNPYREZ-UHFFFAOYSA-N
XLogP2.37
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]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-[[(3-ethoxycyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379867
4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380064
4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380329
4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380437
4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381911
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-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106380209) is 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one is CC(C)COC1CC(NCc2csc(=O)[nH]2)C1(C)C.
What is the InChIKey of 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is IGBPUOJWNPYREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-9(2)7-18-12-5-11(14(12,3)4)15-6-10-8-19-13(17)16-10/h8-9,11-12,15H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 284.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).