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

C7H12N2O2S — CID 20648852

IUPAC3-[2-(methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde
SMILESCNCC(=O)N1CCSC1C=O
InChIInChI=1S/C7H12N2O2S/c1-8-4-6(11)9-2-3-12-7(9)5-10/h5,7-8H,2-4H2,1H3
InChIKeyLEMTZBZJGSYIBI-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.69
Rot. Bonds3

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

3-[2-(methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde (PubChem CID 20648852) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-[2-(methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde.

Molecular Properties

Compound Name3-[2-(methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde
PubChem CID20648852
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name3-[2-(methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde
SMILESCNCC(=O)N1CCSC1C=O
InChIInChI=1S/C7H12N2O2S/c1-8-4-6(11)9-2-3-12-7(9)5-10/h5,7-8H,2-4H2,1H3
InChIKeyLEMTZBZJGSYIBI-UHFFFAOYSA-N
XLogP-0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde?
The IUPAC name of 3-[2-(methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde (CID 20648852) is 3-[2-(methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde.
What is the SMILES notation for 3-[2-(methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde?
The canonical SMILES for 3-[2-(methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde is CNCC(=O)N1CCSC1C=O.
What is the InChIKey of 3-[2-(methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde?
The InChIKey is LEMTZBZJGSYIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-8-4-6(11)9-2-3-12-7(9)5-10/h5,7-8H,2-4H2,1H3.
What are the key properties of 3-[2-(methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde?
3-[2-(methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde has a molecular weight of 188.25 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)acetyl]-1,3-thiazolidine-2-carbaldehyde is sourced from PubChem (CID 20648852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).