4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid

C16H18N2O4S — CID 119183486

IUPAC4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CSCC2C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H18N2O4S/c19-14(11-3-5-12(6-4-11)16(21)22)18-10-23-9-13(18)15(20)17-7-1-2-8-17/h3-6,13H,1-2,7-10H2,(H,21,22)
InChIKeyPSZCQKJIEGZJPS-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.52
Rot. Bonds3

About 4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid

4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid (PubChem CID 119183486) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
PubChem CID119183486
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CSCC2C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H18N2O4S/c19-14(11-3-5-12(6-4-11)16(21)22)18-10-23-9-13(18)15(20)17-7-1-2-8-17/h3-6,13H,1-2,7-10H2,(H,21,22)
InChIKeyPSZCQKJIEGZJPS-UHFFFAOYSA-N
XLogP1.52
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic 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

6-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid
CID 119183482
3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 120549774
1-(4-tert-butylphenyl)-2-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethane-1,2-dione
CID 97007779
1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone
CID 3960804
1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251290
(4-aminopiperidin-1-yl)-[3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119374213
[(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone
CID 99807203
4-[4-(tert-butylcarbamoyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183811
[4-(benzenesulfonyl)piperazin-1-yl]-[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]methanone
CID 55941492
[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 97023493
6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174920
cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42745619

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid?
The IUPAC name of 4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid (CID 119183486) is 4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid.
What is the SMILES notation for 4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid?
The canonical SMILES for 4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid is O=C(O)c1ccc(C(=O)N2CSCC2C(=O)N2CCCC2)cc1.
What is the InChIKey of 4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid?
The InChIKey is PSZCQKJIEGZJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-14(11-3-5-12(6-4-11)16(21)22)18-10-23-9-13(18)15(20)17-7-1-2-8-17/h3-6,13H,1-2,7-10H2,(H,21,22).
What are the key properties of 4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid?
4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid has a molecular weight of 334.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid is sourced from PubChem (CID 119183486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).