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

C10H16N2O2S — CID 106379626

IUPAC4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)C(O)CC1NCc1csc(=O)[nH]1
InChIInChI=1S/C10H16N2O2S/c1-10(2)7(3-8(10)13)11-4-6-5-15-9(14)12-6/h5,7-8,11,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyWWPJEDTVVGIPJB-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.69
Rot. Bonds3

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

4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379626) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379626
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(C)C(O)CC1NCc1csc(=O)[nH]1
InChIInChI=1S/C10H16N2O2S/c1-10(2)7(3-8(10)13)11-4-6-5-15-9(14)12-6/h5,7-8,11,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyWWPJEDTVVGIPJB-UHFFFAOYSA-N
XLogP0.69
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106379858
4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380209
4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380436
4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381911
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 113610250
4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181260
4-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181317
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 114630897

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379626) is 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one is CC1(C)C(O)CC1NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WWPJEDTVVGIPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-10(2)7(3-8(10)13)11-4-6-5-15-9(14)12-6/h5,7-8,11,13H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 228.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).