(4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde

C15H19NO3S — CID 18634474

IUPAC(4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde
SMILESO=C[C@@H]1CSNC1C(=O)CCCOCc1ccccc1
InChIInChI=1S/C15H19NO3S/c17-9-13-11-20-16-15(13)14(18)7-4-8-19-10-12-5-2-1-3-6-12/h1-3,5-6,9,13,15-16H,4,7-8,10-11H2/t13-,15?/m1/s1
InChIKeyYLAIJRLJWUSVLT-AFYYWNPRSA-N
MW293.39 g/mol
LogP1.99
Rot. Bonds8

About (4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde

(4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde (PubChem CID 18634474) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is (4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde.

Molecular Properties

Compound Name(4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde
PubChem CID18634474
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name(4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde
SMILESO=C[C@@H]1CSNC1C(=O)CCCOCc1ccccc1
InChIInChI=1S/C15H19NO3S/c17-9-13-11-20-16-15(13)14(18)7-4-8-19-10-12-5-2-1-3-6-12/h1-3,5-6,9,13,15-16H,4,7-8,10-11H2/t13-,15?/m1/s1
InChIKeyYLAIJRLJWUSVLT-AFYYWNPRSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-5-phenylmethoxypentanal
CID 166844444
trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde
CID 135039485
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
(2Z)-2-ethylidene-6-phenylmethoxyhexanoic acid
CID 102373802
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenylmethoxybutan-1-one
CID 171949164
chloro 4-phenylmethoxybutanoate
CID 143253301
2-phenylmethoxyethyl cyclopropanecarboxylate
CID 21489661
2-oxo-2-(3-phenylmethoxypropoxy)acetic acid
CID 90995825
benzyl 7-(4-phenylmethoxybutanoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171949183
methyl 8-phenylmethoxyoctanoate
CID 562206
benzyl carbamate;cyclohexanecarbaldehyde
CID 142103337

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde?
The IUPAC name of (4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde (CID 18634474) is (4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde.
What is the SMILES notation for (4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde?
The canonical SMILES for (4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde is O=C[C@@H]1CSNC1C(=O)CCCOCc1ccccc1.
What is the InChIKey of (4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde?
The InChIKey is YLAIJRLJWUSVLT-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H19NO3S/c17-9-13-11-20-16-15(13)14(18)7-4-8-19-10-12-5-2-1-3-6-12/h1-3,5-6,9,13,15-16H,4,7-8,10-11H2/t13-,15?/m1/s1.
What are the key properties of (4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde?
(4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde has a molecular weight of 293.39 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde is sourced from PubChem (CID 18634474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).