2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid

C11H15N3O2S2 — CID 53270135

IUPAC2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cnc(N3CCCC3)s2)N1
InChIInChI=1S/C11H15N3O2S2/c15-10(16)7-6-17-9(13-7)8-5-12-11(18-8)14-3-1-2-4-14/h5,7,9,13H,1-4,6H2,(H,15,16)
InChIKeyHMBBOBMQGZMJOV-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.53
Rot. Bonds3

About 2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid

2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53270135) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID53270135
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cnc(N3CCCC3)s2)N1
InChIInChI=1S/C11H15N3O2S2/c15-10(16)7-6-17-9(13-7)8-5-12-11(18-8)14-3-1-2-4-14/h5,7,9,13H,1-4,6H2,(H,15,16)
InChIKeyHMBBOBMQGZMJOV-UHFFFAOYSA-N
XLogP1.53
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid (CID 53270135) is 2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2cnc(N3CCCC3)s2)N1.
What is the InChIKey of 2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HMBBOBMQGZMJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c15-10(16)7-6-17-9(13-7)8-5-12-11(18-8)14-3-1-2-4-14/h5,7,9,13H,1-4,6H2,(H,15,16).
What are the key properties of 2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid?
2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53270135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).