(4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C9H9ClN2O3S — CID 28742100

IUPAC(4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C9H9ClN2O3S/c10-5-1-6(11-2-5)8(13)12-4-16-3-7(12)9(14)15/h1-2,7,11H,3-4H2,(H,14,15)/t7-/m0/s1
InChIKeyXZNTZNCZDNUIDZ-ZETCQYMHSA-N
MW260.70 g/mol
LogP1.27
Rot. Bonds2

About (4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 28742100) has the molecular formula C9H9ClN2O3S and a molecular weight of 260.70 g/mol. Its IUPAC name is (4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID28742100
Molecular FormulaC9H9ClN2O3S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC Name(4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C9H9ClN2O3S/c10-5-1-6(11-2-5)8(13)12-4-16-3-7(12)9(14)15/h1-2,7,11H,3-4H2,(H,14,15)/t7-/m0/s1
InChIKeyXZNTZNCZDNUIDZ-ZETCQYMHSA-N
XLogP1.27
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-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

(2S,4S)-1-(4-chloro-1H-pyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28741560
1-(4-chloro-1H-pyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64560130
1-(4-chloro-1H-pyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43208944
3-(5-chloro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82880621
(4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106500237
3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43211281
3-[2-[[2-(4-carboxy-1,3-thiazolidine-3-carbonyl)-4-chlorophenyl]disulfanyl]-5-chlorobenzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 10627468
3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359168
(4R)-3-(4-chloro-1-ethylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144463
4-(4-acetyl-1H-pyrrole-2-carbonyl)thiomorpholine-3-carboxylic acid
CID 82900558
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-(3,5-dibromobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971194

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 28742100) is (4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of (4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XZNTZNCZDNUIDZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H9ClN2O3S/c10-5-1-6(11-2-5)8(13)12-4-16-3-7(12)9(14)15/h1-2,7,11H,3-4H2,(H,14,15)/t7-/m0/s1.
What are the key properties of (4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 260.70 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-chloro-1H-pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 28742100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).