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

C9H16N2O2S — CID 106381129

IUPAC4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC(C)(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2O2S/c1-3-9(2,13)6-10-4-7-5-14-8(12)11-7/h5,10,13H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyYJBVMQHYHXKDTE-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.69
Rot. Bonds5

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

4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381129) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381129
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC(C)(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2O2S/c1-3-9(2,13)6-10-4-7-5-14-8(12)11-7/h5,10,13H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyYJBVMQHYHXKDTE-UHFFFAOYSA-N
XLogP0.69
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65109590
N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65112118
N-(2-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 65114407
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-hydroxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380729
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-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381004
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

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106381129) is 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one is CCC(C)(O)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is YJBVMQHYHXKDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-3-9(2,13)6-10-4-7-5-14-8(12)11-7/h5,10,13H,3-4,6H2,1-2H3,(H,11,12).
What are the key properties of 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 216.31 g/mol, XLogP of 0.69, 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-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).