2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde

C8H15NOS — CID 88977901

IUPAC2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde
SMILESCC1(C)CN(C=O)C(C)(C)S1
InChIInChI=1S/C8H15NOS/c1-7(2)5-9(6-10)8(3,4)11-7/h6H,5H2,1-4H3
InChIKeyHRQVNBGEDAXBGT-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.71
Rot. Bonds1

About 2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde

2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde (PubChem CID 88977901) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde
PubChem CID88977901
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde
SMILESCC1(C)CN(C=O)C(C)(C)S1
InChIInChI=1S/C8H15NOS/c1-7(2)5-9(6-10)8(3,4)11-7/h6H,5H2,1-4H3
InChIKeyHRQVNBGEDAXBGT-UHFFFAOYSA-N
XLogP1.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.71
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 2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde?
The IUPAC name of 2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde (CID 88977901) is 2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde.
What is the SMILES notation for 2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde?
The canonical SMILES for 2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde is CC1(C)CN(C=O)C(C)(C)S1.
What is the InChIKey of 2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde?
The InChIKey is HRQVNBGEDAXBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-7(2)5-9(6-10)8(3,4)11-7/h6H,5H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde?
2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde has a molecular weight of 173.28 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-1,3-thiazolidine-3-carbaldehyde is sourced from PubChem (CID 88977901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).