4-methyl-1,3-thiazolidine-3-carbaldehyde

C5H9NOS — CID 89282689

IUPAC4-methyl-1,3-thiazolidine-3-carbaldehyde
SMILESCC1CSCN1C=O
InChIInChI=1S/C5H9NOS/c1-5-2-8-4-6(5)3-7/h3,5H,2,4H2,1H3
InChIKeyBQYFFACSFHEGDU-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.54
Rot. Bonds1

About 4-methyl-1,3-thiazolidine-3-carbaldehyde

4-methyl-1,3-thiazolidine-3-carbaldehyde (PubChem CID 89282689) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 4-methyl-1,3-thiazolidine-3-carbaldehyde.

Molecular Properties

Compound Name4-methyl-1,3-thiazolidine-3-carbaldehyde
PubChem CID89282689
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name4-methyl-1,3-thiazolidine-3-carbaldehyde
SMILESCC1CSCN1C=O
InChIInChI=1S/C5H9NOS/c1-5-2-8-4-6(5)3-7/h3,5H,2,4H2,1H3
InChIKeyBQYFFACSFHEGDU-UHFFFAOYSA-N
XLogP0.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-thiazolidine-3-carbaldehyde?
The IUPAC name of 4-methyl-1,3-thiazolidine-3-carbaldehyde (CID 89282689) is 4-methyl-1,3-thiazolidine-3-carbaldehyde.
What is the SMILES notation for 4-methyl-1,3-thiazolidine-3-carbaldehyde?
The canonical SMILES for 4-methyl-1,3-thiazolidine-3-carbaldehyde is CC1CSCN1C=O.
What is the InChIKey of 4-methyl-1,3-thiazolidine-3-carbaldehyde?
The InChIKey is BQYFFACSFHEGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-5-2-8-4-6(5)3-7/h3,5H,2,4H2,1H3.
What are the key properties of 4-methyl-1,3-thiazolidine-3-carbaldehyde?
4-methyl-1,3-thiazolidine-3-carbaldehyde has a molecular weight of 131.20 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-thiazolidine-3-carbaldehyde is sourced from PubChem (CID 89282689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).