3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid

C14H17NO3S — CID 42744256

IUPAC3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1ccccc1
InChIInChI=1S/C14H17NO3S/c1-2-6-12-15(11(9-19-12)14(17)18)13(16)10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3,(H,17,18)
InChIKeyUTUOLAITXJWWKX-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.45
Rot. Bonds4

About 3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 42744256) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID42744256
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1ccccc1
InChIInChI=1S/C14H17NO3S/c1-2-6-12-15(11(9-19-12)14(17)18)13(16)10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3,(H,17,18)
InChIKeyUTUOLAITXJWWKX-UHFFFAOYSA-N
XLogP2.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790988
3-[4-(aminomethyl)benzoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791131
3-(4-cyanobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792222
(2S,4S)-3-(2-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 809620
3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791881
3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 82810538
3-(3-phenylpropanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791346
3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55237071
3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792063
3-(6-chloropyridine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792745
3-[2-(2-fluorophenyl)acetyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792427
3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 80644761

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 42744256) is 3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UTUOLAITXJWWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-2-6-12-15(11(9-19-12)14(17)18)13(16)10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3,(H,17,18).
What are the key properties of 3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 42744256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).