4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one

C10H18N2O2S — CID 106381005

IUPAC4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC(O)(CC)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O2S/c1-3-10(14,4-2)7-11-5-8-6-15-9(13)12-8/h6,11,14H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyXAHCVIYWTWXAHV-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.08
Rot. Bonds6

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

4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381005) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381005
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC(O)(CC)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O2S/c1-3-10(14,4-2)7-11-5-8-6-15-9(13)12-8/h6,11,14H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyXAHCVIYWTWXAHV-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65112118
N-(2-ethyl-2-hydroxybutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 65114072
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-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380707
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-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
4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381138

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106381005) is 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one is CCC(O)(CC)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XAHCVIYWTWXAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-10(14,4-2)7-11-5-8-6-15-9(13)12-8/h6,11,14H,3-5,7H2,1-2H3,(H,12,13).
What are the key properties of 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 230.33 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).