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

C9H16N2O3S — CID 106381046

IUPAC4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(CO)(CO)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2O3S/c1-9(5-12,6-13)4-10-2-7-3-15-8(14)11-7/h3,10,12-13H,2,4-6H2,1H3,(H,11,14)
InChIKeyRZGRPLGCUHIVBK-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.48
Rot. Bonds6

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

4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381046) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381046
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(CO)(CO)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2O3S/c1-9(5-12,6-13)4-10-2-7-3-15-8(14)11-7/h3,10,12-13H,2,4-6H2,1H3,(H,11,14)
InChIKeyRZGRPLGCUHIVBK-UHFFFAOYSA-N
XLogP-0.48
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65036828
N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 81646515
4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379635
4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106379858
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379990
4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380101
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-hydroxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380729
4-[(3-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380741
4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380743
4-[[(3-hydroxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380758

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106381046) is 4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one is CC(CO)(CO)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is RZGRPLGCUHIVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-9(5-12,6-13)4-10-2-7-3-15-8(14)11-7/h3,10,12-13H,2,4-6H2,1H3,(H,11,14).
What are the key properties of 4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 232.30 g/mol, XLogP of -0.48, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).