2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid

C14H15ClN2O4S — CID 119172118

IUPAC2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CSCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O4S/c1-16(6-12(18)19)14(21)11-7-22-8-17(11)13(20)9-2-4-10(15)5-3-9/h2-5,11H,6-8H2,1H3,(H,18,19)
InChIKeyPDPUIWWJYOITKF-UHFFFAOYSA-N
MW342.80 g/mol
LogP1.40
Rot. Bonds4

About 2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid

2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid (PubChem CID 119172118) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is 2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid
PubChem CID119172118
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Name2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CSCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O4S/c1-16(6-12(18)19)14(21)11-7-22-8-17(11)13(20)9-2-4-10(15)5-3-9/h2-5,11H,6-8H2,1H3,(H,18,19)
InChIKeyPDPUIWWJYOITKF-UHFFFAOYSA-N
XLogP1.40
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid with MolForge

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Related Compounds

4-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)-methylamino]butanoic acid
CID 119172932
methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate
CID 95297675
N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 119642205
3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119507547
3-[(4-chlorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61415002
N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119407342
3-(4-propan-2-ylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24693101
(4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide
CID 55941836
3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55509742
(4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 11639536
3-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 55511939
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid (CID 119172118) is 2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)C1CSCN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid?
The InChIKey is PDPUIWWJYOITKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c1-16(6-12(18)19)14(21)11-7-22-8-17(11)13(20)9-2-4-10(15)5-3-9/h2-5,11H,6-8H2,1H3,(H,18,19).
What are the key properties of 2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid?
2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid has a molecular weight of 342.80 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 119172118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).