butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate

C18H24FNO3S — CID 7396132

IUPACbutyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCOC(=O)[C@H]1CS[C@@H](CCC)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H24FNO3S/c1-3-5-10-23-18(22)15-12-24-16(7-4-2)20(15)17(21)13-8-6-9-14(19)11-13/h6,8-9,11,15-16H,3-5,7,10,12H2,1-2H3/t15-,16+/m1/s1
InChIKeyLVWXRZXKNACNLN-CVEARBPZSA-N
MW353.46 g/mol
LogP3.85
Rot. Bonds7

About butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate

butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate (PubChem CID 7396132) has the molecular formula C18H24FNO3S and a molecular weight of 353.46 g/mol. Its IUPAC name is butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namebutyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate
PubChem CID7396132
Molecular FormulaC18H24FNO3S
Molecular Weight353.46 g/mol
Exact Mass353.15
IUPAC Namebutyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCOC(=O)[C@H]1CS[C@@H](CCC)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H24FNO3S/c1-3-5-10-23-18(22)15-12-24-16(7-4-2)20(15)17(21)13-8-6-9-14(19)11-13/h6,8-9,11,15-16H,3-5,7,10,12H2,1-2H3/t15-,16+/m1/s1
InChIKeyLVWXRZXKNACNLN-CVEARBPZSA-N
XLogP3.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate 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

3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790988
methyl 3-(3-fluorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729361
2-methylpropyl 3-(3-fluorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745552
butyl 1-(3-fluorobenzoyl)pyrrolidine-2-carboxylate
CID 91711971
butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate
CID 42748997
butyl 3-butanoyl-2-propyl-1,3-thiazolidine-4-carboxylate
CID 42748996
butyl 2-ethyl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42748893
methyl 3-(3-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729383
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791881
butyl (2R,4R)-3-(naphthalene-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 7328067
butyl 3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745476

Frequently Asked Questions

What is the IUPAC name of butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate (CID 7396132) is butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate is CCCCOC(=O)[C@H]1CS[C@@H](CCC)N1C(=O)c1cccc(F)c1.
What is the InChIKey of butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is LVWXRZXKNACNLN-CVEARBPZSA-N. The full InChI is InChI=1S/C18H24FNO3S/c1-3-5-10-23-18(22)15-12-24-16(7-4-2)20(15)17(21)13-8-6-9-14(19)11-13/h6,8-9,11,15-16H,3-5,7,10,12H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate?
butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 353.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 7396132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).