1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone

C7H14N2O2S — CID 20699051

IUPAC1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCSC1CO
InChIInChI=1S/C7H14N2O2S/c1-8-4-6(11)9-2-3-12-7(9)5-10/h7-8,10H,2-5H2,1H3
InChIKeyRIOQDZMCKXDIAW-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.90
Rot. Bonds3

About 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone

1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone (PubChem CID 20699051) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
PubChem CID20699051
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCSC1CO
InChIInChI=1S/C7H14N2O2S/c1-8-4-6(11)9-2-3-12-7(9)5-10/h7-8,10H,2-5H2,1H3
InChIKeyRIOQDZMCKXDIAW-UHFFFAOYSA-N
XLogP-0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(Methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde
CID 20648852
1-[4-(Hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
CID 20699060
1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
CID 20699062
3-[2-(Methylamino)acetyl]-1,3-thiazolidine-2-carboxylic acid
CID 20699506
N-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide
CID 122522048
5-Hydroxy-4-methyl-6-methylsulfanylpiperazin-2-one
CID 123965553
2-Amino-1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]ethanone
CID 141924380
2-Amino-1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]ethanone
CID 141925605
3-[2-(2-Hydroxyethylamino)ethyl]-1,3-thiazolidine-2,4-dione
CID 144287153
N-[2-(2,4-Dioxo-1,3-thiazolidin-3-YL)ethyl]-2-hydroxyacetamide
CID 16769173
N-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033524
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 27409952

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone (CID 20699051) is 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCSC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone?
The InChIKey is RIOQDZMCKXDIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-8-4-6(11)9-2-3-12-7(9)5-10/h7-8,10H,2-5H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone?
1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone has a molecular weight of 190.27 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 20699051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).