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

C8H14N2O2S — CID 106381028

IUPAC4-[[(2-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2O2S/c1-8(2,12)5-9-3-6-4-13-7(11)10-6/h4,9,12H,3,5H2,1-2H3,(H,10,11)
InChIKeyVGCHEHZPZMZNKI-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.30
Rot. Bonds4

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

4-[[(2-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381028) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-[[(2-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381028
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name4-[[(2-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2O2S/c1-8(2,12)5-9-3-6-4-13-7(11)10-6/h4,9,12H,3,5H2,1-2H3,(H,10,11)
InChIKeyVGCHEHZPZMZNKI-UHFFFAOYSA-N
XLogP0.30
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.30
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-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 103840113
4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379748
4-[(2-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380675
4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380692
4-[(3-hydroxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380729
4-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380738
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-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380876
4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380901
4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381005

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106381028) is 4-[[(2-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one is CC(C)(O)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(2-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is VGCHEHZPZMZNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-8(2,12)5-9-3-6-4-13-7(11)10-6/h4,9,12H,3,5H2,1-2H3,(H,10,11).
What are the key properties of 4-[[(2-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 202.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).