3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one

C7H12N2O2S — CID 123700873

IUPAC3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one
SMILESCN(C)CCn1c(O)csc1=O
InChIInChI=1S/C7H12N2O2S/c1-8(2)3-4-9-6(10)5-12-7(9)11/h5,10H,3-4H2,1-2H3
InChIKeyHQJSSVFSIRYTQD-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.18
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one

3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one (PubChem CID 123700873) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one
PubChem CID123700873
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one
SMILESCN(C)CCn1c(O)csc1=O
InChIInChI=1S/C7H12N2O2S/c1-8(2)3-4-9-6(10)5-12-7(9)11/h5,10H,3-4H2,1-2H3
InChIKeyHQJSSVFSIRYTQD-UHFFFAOYSA-N
XLogP0.18
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Hydroxy-3-methyl-1,3-thiazol-2-one
CID 53709471
3-Ethyl-4-hydroxy-1,3-thiazol-2-one
CID 54276559
3-(2-Aminoethyl)-4-hydroxy-1,3-thiazol-2-one
CID 54477865
3-Butyl-4-hydroxy-1,3-thiazol-2-one
CID 56631257
4-Hydroxy-3-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1,3-thiazol-2-one
CID 90696060
4-Hydroxy-3-[2-(methylamino)ethyl]-1,3-thiazol-2-one
CID 90935715
4-Hydroxy-3-propyl-1,3-thiazol-2-one
CID 123136344
2-(4-Hydroxy-2-oxo-1,3-thiazol-3-yl)acetonitrile
CID 123244636
3-[2-(Dimethylamino)ethyl]-1,3-thiazol-2-one
CID 115749761

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one (CID 123700873) is 3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one is CN(C)CCn1c(O)csc1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is HQJSSVFSIRYTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-8(2)3-4-9-6(10)5-12-7(9)11/h5,10H,3-4H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one?
3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 188.25 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 123700873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).