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

C10H18N2O2S — CID 106381138

IUPAC4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)C(C)(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O2S/c1-7(2)10(3,14)6-11-4-8-5-15-9(13)12-8/h5,7,11,14H,4,6H2,1-3H3,(H,12,13)
InChIKeyWLVQEUVIJUMELF-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.93
Rot. Bonds5

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

4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381138) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381138
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)C(C)(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O2S/c1-7(2)10(3,14)6-11-4-8-5-15-9(13)12-8/h5,7,11,14H,4,6H2,1-3H3,(H,12,13)
InChIKeyWLVQEUVIJUMELF-UHFFFAOYSA-N
XLogP0.93
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65114801
4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379634
4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379748
4-[[(3-hydroxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380758
4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380827
4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381005
4-[[(2-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381028
4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381129
N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 111483716
N-(2-hydroxy-2,3-dimethylbutyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 111484233

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106381138) is 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]-3H-1,3-thiazol-2-one is CC(C)C(C)(O)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WLVQEUVIJUMELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-7(2)10(3,14)6-11-4-8-5-15-9(13)12-8/h5,7,11,14H,4,6H2,1-3H3,(H,12,13).
What are the key properties of 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 230.33 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).