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

C11H20N2O2S — CID 106380436

IUPAC4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC(CC)(CO)CNCc1csc(=O)[nH]1
InChIInChI=1S/C11H20N2O2S/c1-3-11(4-2,8-14)7-12-5-9-6-16-10(15)13-9/h6,12,14H,3-5,7-8H2,1-2H3,(H,13,15)
InChIKeySQJMCQGYZQFUMH-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.32
Rot. Bonds7

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

4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380436) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380436
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC(CC)(CO)CNCc1csc(=O)[nH]1
InChIInChI=1S/C11H20N2O2S/c1-3-11(4-2,8-14)7-12-5-9-6-16-10(15)13-9/h6,12,14H,3-5,7-8H2,1-2H3,(H,13,15)
InChIKeySQJMCQGYZQFUMH-UHFFFAOYSA-N
XLogP1.32
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103843625
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 103843795
4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379613
4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379626
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-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-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106380436) is 4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one is CCC(CC)(CO)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is SQJMCQGYZQFUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-11(4-2,8-14)7-12-5-9-6-16-10(15)13-9/h6,12,14H,3-5,7-8H2,1-2H3,(H,13,15).
What are the key properties of 4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 244.36 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).