2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid

C11H19N3O3S — CID 63792161

IUPAC2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)CN1CCNCC1
InChIInChI=1S/C11H19N3O3S/c1-8-14(9(7-18-8)11(16)17)10(15)6-13-4-2-12-3-5-13/h8-9,12H,2-7H2,1H3,(H,16,17)
InChIKeyDJWBMHPPEUPCSK-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.73
Rot. Bonds3

About 2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792161) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792161
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)CN1CCNCC1
InChIInChI=1S/C11H19N3O3S/c1-8-14(9(7-18-8)11(16)17)10(15)6-13-4-2-12-3-5-13/h8-9,12H,2-7H2,1H3,(H,16,17)
InChIKeyDJWBMHPPEUPCSK-UHFFFAOYSA-N
XLogP-0.73
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid (CID 63792161) is 2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)CN1CCNCC1.
What is the InChIKey of 2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DJWBMHPPEUPCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8-14(9(7-18-8)11(16)17)10(15)6-13-4-2-12-3-5-13/h8-9,12H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 273.36 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).