3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid

C13H14N2O4S — CID 43359495

IUPAC3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)Nc1cccc(C(=O)N2CSCC2C(=O)O)c1
InChIInChI=1S/C13H14N2O4S/c1-8(16)14-10-4-2-3-9(5-10)12(17)15-7-20-6-11(15)13(18)19/h2-5,11H,6-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyXHEUOIFOGZRHJD-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.24
Rot. Bonds3

About 3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid

3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359495) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359495
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)Nc1cccc(C(=O)N2CSCC2C(=O)O)c1
InChIInChI=1S/C13H14N2O4S/c1-8(16)14-10-4-2-3-9(5-10)12(17)15-7-20-6-11(15)13(18)19/h2-5,11H,6-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyXHEUOIFOGZRHJD-UHFFFAOYSA-N
XLogP1.24
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-acetamidobenzoyl)thiomorpholine-3-carboxylic acid
CID 78979434
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43329177
3-[3-(methylsulfanylmethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359431
3-(3-methylsulfonylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43099503
(4R)-3-(3-methylsulfonylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 29045368
(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
4-[(3-acetylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82902218
(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 71889011
3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62848994
3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 13375478
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 43359495) is 3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid is CC(=O)Nc1cccc(C(=O)N2CSCC2C(=O)O)c1.
What is the InChIKey of 3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XHEUOIFOGZRHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-8(16)14-10-4-2-3-9(5-10)12(17)15-7-20-6-11(15)13(18)19/h2-5,11H,6-7H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).