3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H19N3O3S — CID 63605096

IUPAC3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CN(C(=O)N2CSCC2C(=O)O)CCN1C
InChIInChI=1S/C11H19N3O3S/c1-8-5-13(4-3-12(8)2)11(17)14-7-18-6-9(14)10(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyIZGJSUBTTLQAFX-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.20
Rot. Bonds1

About 3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63605096) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63605096
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CN(C(=O)N2CSCC2C(=O)O)CCN1C
InChIInChI=1S/C11H19N3O3S/c1-8-5-13(4-3-12(8)2)11(17)14-7-18-6-9(14)10(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyIZGJSUBTTLQAFX-UHFFFAOYSA-N
XLogP0.20
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63605096) is 3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1CN(C(=O)N2CSCC2C(=O)O)CCN1C.
What is the InChIKey of 3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IZGJSUBTTLQAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8-5-13(4-3-12(8)2)11(17)14-7-18-6-9(14)10(15)16/h8-9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 273.36 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63605096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).