1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone

C7H14N2O2S — CID 20699062

IUPAC1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CSCC1CO
InChIInChI=1S/C7H14N2O2S/c1-8-2-7(11)9-5-12-4-6(9)3-10/h6,8,10H,2-5H2,1H3
InChIKeyFTTBQIAYOMSLEG-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.90
Rot. Bonds3

About 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone

1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone (PubChem CID 20699062) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
PubChem CID20699062
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CSCC1CO
InChIInChI=1S/C7H14N2O2S/c1-8-2-7(11)9-5-12-4-6(9)3-10/h6,8,10H,2-5H2,1H3
InChIKeyFTTBQIAYOMSLEG-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-Aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 3065225
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 60952485
N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 103915375
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
CID 107479321
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 107483090
N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 18961062
3-(2-Aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 19823291
3-[2-(Methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde
CID 20648853
1-[2-(Hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
CID 20699051
1-[4-(Hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
CID 20699060
3-[2-(Methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 20699507
(4R)-N-[(1S)-1-Methyl-2-hydroxyethyl]-2-oxothiazolidin-4-yl-carboxamide
CID 21309140

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone (CID 20699062) is 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone is CNCC(=O)N1CSCC1CO.
What is the InChIKey of 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone?
The InChIKey is FTTBQIAYOMSLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-8-2-7(11)9-5-12-4-6(9)3-10/h6,8,10H,2-5H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone?
1-[4-(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-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 20699062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).