2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde

C9H16N2O2S — CID 20648669

IUPAC2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde
SMILESCNCC(=O)N1C(C=O)CSC1(C)C
InChIInChI=1S/C9H16N2O2S/c1-9(2)11(8(13)4-10-3)7(5-12)6-14-9/h5,7,10H,4,6H2,1-3H3
InChIKeyLLRRLJGUEWZMBD-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.08
Rot. Bonds3

About 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde

2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde (PubChem CID 20648669) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde
PubChem CID20648669
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde
SMILESCNCC(=O)N1C(C=O)CSC1(C)C
InChIInChI=1S/C9H16N2O2S/c1-9(2)11(8(13)4-10-3)7(5-12)6-14-9/h5,7,10H,4,6H2,1-3H3
InChIKeyLLRRLJGUEWZMBD-UHFFFAOYSA-N
XLogP0.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
CID 4398360
N-[3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide
CID 13048730
N-[(2R)-3-methylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide
CID 13048731
N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 13048739
N-(N-Acetyl-S-ethyl-L-cysteinyl)pyrrolidine
CID 13048740
N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 13853983
N-[3-ethylsulfanyl-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]acetamide
CID 20464870
tert-butyl N-[2-(4-formyl-2,2-dimethyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate
CID 20624409
tert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate
CID 20624412
2,2-Dimethyl-3-[2-(methylamino)ethanethioyl]-1,3-thiazolidine-4-carbaldehyde
CID 20648670
3-[2-(Methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde
CID 20648852
3-[2-(Methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde
CID 20648853

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde?
The IUPAC name of 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde (CID 20648669) is 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde.
What is the SMILES notation for 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde?
The canonical SMILES for 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde is CNCC(=O)N1C(C=O)CSC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde?
The InChIKey is LLRRLJGUEWZMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-9(2)11(8(13)4-10-3)7(5-12)6-14-9/h5,7,10H,4,6H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde?
2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde has a molecular weight of 216.31 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carbaldehyde is sourced from PubChem (CID 20648669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).