3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid

C13H19N3O4S — CID 43522044

IUPAC3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid
SMILESCc1csc(=O)n1CC(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C13H19N3O4S/c1-10-9-21-13(20)16(10)8-11(17)15-6-4-14(5-7-15)3-2-12(18)19/h9H,2-8H2,1H3,(H,18,19)
InChIKeyDZBBVBODEUVALE-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.16
Rot. Bonds5

About 3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid

3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid (PubChem CID 43522044) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid
PubChem CID43522044
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid
SMILESCc1csc(=O)n1CC(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C13H19N3O4S/c1-10-9-21-13(20)16(10)8-11(17)15-6-4-14(5-7-15)3-2-12(18)19/h9H,2-8H2,1H3,(H,18,19)
InChIKeyDZBBVBODEUVALE-UHFFFAOYSA-N
XLogP-0.16
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic 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 3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid (CID 43522044) is 3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid is Cc1csc(=O)n1CC(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid?
The InChIKey is DZBBVBODEUVALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-10-9-21-13(20)16(10)8-11(17)15-6-4-14(5-7-15)3-2-12(18)19/h9H,2-8H2,1H3,(H,18,19).
What are the key properties of 3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid?
3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid has a molecular weight of 313.38 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).