3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid

C13H16N2O3S — CID 43329177

IUPAC3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(C)c1cccc(C(=O)N2CSCC2C(=O)O)c1
InChIInChI=1S/C13H16N2O3S/c1-14(2)10-5-3-4-9(6-10)12(16)15-8-19-7-11(15)13(17)18/h3-6,11H,7-8H2,1-2H3,(H,17,18)
InChIKeyRGBLFBWJTIFOLF-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.35
Rot. Bonds3

About 3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid

3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43329177) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43329177
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(C)c1cccc(C(=O)N2CSCC2C(=O)O)c1
InChIInChI=1S/C13H16N2O3S/c1-14(2)10-5-3-4-9(6-10)12(16)15-8-19-7-11(15)13(17)18/h3-6,11H,7-8H2,1-2H3,(H,17,18)
InChIKeyRGBLFBWJTIFOLF-UHFFFAOYSA-N
XLogP1.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid 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

(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359495
3-(3-methylsulfonylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43099503
(4R)-3-(3-methylsulfonylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 29045368
1-[3-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 43329171
(2R)-1-[3-(dimethylamino)benzoyl]piperidine-2-carboxylic acid
CID 79034431
3-[3-(methylsulfanylmethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359431
(3R)-2-[3-(dimethylamino)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 67667435
3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62848994
(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide
CID 55940652
3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 13375478
[3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331719

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid (CID 43329177) is 3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid is CN(C)c1cccc(C(=O)N2CSCC2C(=O)O)c1.
What is the InChIKey of 3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RGBLFBWJTIFOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-14(2)10-5-3-4-9(6-10)12(16)15-8-19-7-11(15)13(17)18/h3-6,11H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43329177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).