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

C10H18N2O2S — CID 106379858

IUPAC4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC(C)(CO)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O2S/c1-3-10(2,7-13)6-11-4-8-5-15-9(14)12-8/h5,11,13H,3-4,6-7H2,1-2H3,(H,12,14)
InChIKeyYPXSKVDOFJYCJF-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.93
Rot. Bonds6

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

4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379858) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379858
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC(C)(CO)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O2S/c1-3-10(2,7-13)6-11-4-8-5-15-9(14)12-8/h5,11,13H,3-4,6-7H2,1-2H3,(H,12,14)
InChIKeyYPXSKVDOFJYCJF-UHFFFAOYSA-N
XLogP0.93
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 80712289
N-(4-hydroxy-2,2-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 103772455
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 103843795
4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379626
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379990
4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380436
4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380680
4-[(3-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380741
4-[[(3-hydroxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380758
4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380863
4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380955
4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381046

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106379858) is 4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one is CCC(C)(CO)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is YPXSKVDOFJYCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-10(2,7-13)6-11-4-8-5-15-9(14)12-8/h5,11,13H,3-4,6-7H2,1-2H3,(H,12,14).
What are the key properties of 4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 230.33 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).