(4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde

C10H17NO2S — CID 59050241

IUPAC(4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde
SMILESCC(=O)[C@H]1CSC(C(C)(C)C)N1C=O
InChIInChI=1S/C10H17NO2S/c1-7(13)8-5-14-9(10(2,3)4)11(8)6-12/h6,8-9H,5H2,1-4H3/t8-,9?/m1/s1
InChIKeyYGBJMNPMYVTDDH-VEDVMXKPSA-N
MW215.32 g/mol
LogP1.52
Rot. Bonds2

About (4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde

(4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde (PubChem CID 59050241) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is (4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde.

Molecular Properties

Compound Name(4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde
PubChem CID59050241
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name(4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde
SMILESCC(=O)[C@H]1CSC(C(C)(C)C)N1C=O
InChIInChI=1S/C10H17NO2S/c1-7(13)8-5-14-9(10(2,3)4)11(8)6-12/h6,8-9H,5H2,1-4H3/t8-,9?/m1/s1
InChIKeyYGBJMNPMYVTDDH-VEDVMXKPSA-N
XLogP1.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,4R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate
CID 10900479
Thiazolidine-4-carboxylic acid, 2-t-butyl-3-formyl-, methyl ester, cis-
CID 589815
methyl (2S,4S)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate
CID 22216958
methyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
CID 134896191
tert-butyl (4R)-4-acetyl-2,2-dimethyl-1,3-thiazolidine-3-carboxylate
CID 135043633
methyl (4S)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate
CID 10911406
2-Tert-butyl-4-methyl-1,3-thiazolidine-3-carbaldehyde
CID 20810678
4-Acetyl-3-methyl-1,3-thiazolidin-2-one
CID 23591475
(2R)-2-tert-butyl-4-formyl-1,3-thiazolidine-3-carboxylic acid
CID 57203197
(4R)-4-acetyl-2-tert-butyl-4-methyl-1,3-thiazolidine-3-carbaldehyde
CID 59050221
(2R,4R)-2-tert-butyl-4-methyl-1,3-thiazolidine-3-carbaldehyde
CID 59107355
methyl (2R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate
CID 59896205

Frequently Asked Questions

What is the IUPAC name of (4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde?
The IUPAC name of (4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde (CID 59050241) is (4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde.
What is the SMILES notation for (4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde?
The canonical SMILES for (4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde is CC(=O)[C@H]1CSC(C(C)(C)C)N1C=O.
What is the InChIKey of (4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde?
The InChIKey is YGBJMNPMYVTDDH-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-7(13)8-5-14-9(10(2,3)4)11(8)6-12/h6,8-9H,5H2,1-4H3/t8-,9?/m1/s1.
What are the key properties of (4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde?
(4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde has a molecular weight of 215.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-acetyl-2-tert-butyl-1,3-thiazolidine-3-carbaldehyde is sourced from PubChem (CID 59050241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).