(4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde

C15H19NO3S — CID 14457956

IUPAC(4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde
SMILESO=C[C@@H]1CSCN1C(=O)CCCOCc1ccccc1
InChIInChI=1S/C15H19NO3S/c17-9-14-11-20-12-16(14)15(18)7-4-8-19-10-13-5-2-1-3-6-13/h1-3,5-6,9,14H,4,7-8,10-12H2/t14-/m1/s1
InChIKeySZKCEZSLXVEIGN-CQSZACIVSA-N
MW293.39 g/mol
LogP2.08
Rot. Bonds7

About (4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde

(4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde (PubChem CID 14457956) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is (4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde.

Molecular Properties

Compound Name(4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde
PubChem CID14457956
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name(4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde
SMILESO=C[C@@H]1CSCN1C(=O)CCCOCc1ccccc1
InChIInChI=1S/C15H19NO3S/c17-9-14-11-20-12-16(14)15(18)7-4-8-19-10-13-5-2-1-3-6-13/h1-3,5-6,9,14H,4,7-8,10-12H2/t14-/m1/s1
InChIKeySZKCEZSLXVEIGN-CQSZACIVSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde?
The IUPAC name of (4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde (CID 14457956) is (4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde.
What is the SMILES notation for (4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde?
The canonical SMILES for (4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde is O=C[C@@H]1CSCN1C(=O)CCCOCc1ccccc1.
What is the InChIKey of (4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde?
The InChIKey is SZKCEZSLXVEIGN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19NO3S/c17-9-14-11-20-12-16(14)15(18)7-4-8-19-10-13-5-2-1-3-6-13/h1-3,5-6,9,14H,4,7-8,10-12H2/t14-/m1/s1.
What are the key properties of (4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde?
(4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde has a molecular weight of 293.39 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-phenylmethoxybutanoyl)-1,3-thiazolidine-4-carbaldehyde is sourced from PubChem (CID 14457956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).