1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

C15H23N3O2S — CID 65169725

IUPAC1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCc1nc(N2CCC(N3CCCC3C(=O)O)CC2)sc1C
InChIInChI=1S/C15H23N3O2S/c1-10-11(2)21-15(16-10)17-8-5-12(6-9-17)18-7-3-4-13(18)14(19)20/h12-13H,3-9H2,1-2H3,(H,19,20)
InChIKeyTVEDMANBNHJHIY-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.28
Rot. Bonds3

About 1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 65169725) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID65169725
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCc1nc(N2CCC(N3CCCC3C(=O)O)CC2)sc1C
InChIInChI=1S/C15H23N3O2S/c1-10-11(2)21-15(16-10)17-8-5-12(6-9-17)18-7-3-4-13(18)14(19)20/h12-13H,3-9H2,1-2H3,(H,19,20)
InChIKeyTVEDMANBNHJHIY-UHFFFAOYSA-N
XLogP2.28
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-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 1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 65169725) is 1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is Cc1nc(N2CCC(N3CCCC3C(=O)O)CC2)sc1C.
What is the InChIKey of 1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is TVEDMANBNHJHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10-11(2)21-15(16-10)17-8-5-12(6-9-17)18-7-3-4-13(18)14(19)20/h12-13H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 309.44 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65169725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).