(4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid

C15H19NO3S — CID 61144010

IUPAC(4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCc1ccc(C(=O)N2CSC[C@H]2C(=O)O)cc1
InChIInChI=1S/C15H19NO3S/c1-2-3-4-11-5-7-12(8-6-11)14(17)16-10-20-9-13(16)15(18)19/h5-8,13H,2-4,9-10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyCUCUZOFXQYUFKJ-ZDUSSCGKSA-N
MW293.39 g/mol
LogP2.63
Rot. Bonds5

About (4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61144010) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is (4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61144010
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name(4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCc1ccc(C(=O)N2CSC[C@H]2C(=O)O)cc1
InChIInChI=1S/C15H19NO3S/c1-2-3-4-11-5-7-12(8-6-11)14(17)16-10-20-9-13(16)15(18)19/h5-8,13H,2-4,9-10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyCUCUZOFXQYUFKJ-ZDUSSCGKSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-(4-propan-2-ylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24693101
3-(3,5-dibromobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971194
(4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61389230
3-[4-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359320
3-[3-(methylsulfanylmethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359431
(4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143747
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63184099
(4R)-3-benzoyl-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazolidine-4-carboxamide
CID 55939610
3-(3-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24711279

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61144010) is (4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid is CCCCc1ccc(C(=O)N2CSC[C@H]2C(=O)O)cc1.
What is the InChIKey of (4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CUCUZOFXQYUFKJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-2-3-4-11-5-7-12(8-6-11)14(17)16-10-20-9-13(16)15(18)19/h5-8,13H,2-4,9-10H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 293.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61144010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).