(4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one

C10H17N3O2S — CID 120569626

IUPAC(4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one
SMILESCC1NCCN(C(=O)[C@@H]2CSC(=O)N2)C1C
InChIInChI=1S/C10H17N3O2S/c1-6-7(2)13(4-3-11-6)9(14)8-5-16-10(15)12-8/h6-8,11H,3-5H2,1-2H3,(H,12,15)/t6?,7?,8-/m0/s1
InChIKeyFKILFXAFXSBTQF-RRQHEKLDSA-N
MW243.33 g/mol
LogP0.02
Rot. Bonds1

About (4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one

(4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one (PubChem CID 120569626) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is (4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one
PubChem CID120569626
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name(4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one
SMILESCC1NCCN(C(=O)[C@@H]2CSC(=O)N2)C1C
InChIInChI=1S/C10H17N3O2S/c1-6-7(2)13(4-3-11-6)9(14)8-5-16-10(15)12-8/h6-8,11H,3-5H2,1-2H3,(H,12,15)/t6?,7?,8-/m0/s1
InChIKeyFKILFXAFXSBTQF-RRQHEKLDSA-N
XLogP0.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one
CID 120572888
3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid
CID 107069118
(2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 28789670
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
(2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 120571063
(4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119634263
4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride
CID 120572547
(4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144554
(4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one
CID 120732061
1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid
CID 28789368
4-[2-(hydroxymethyl)azepane-1-carbonyl]-1,3-thiazolidin-2-one
CID 116636142
1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918403

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one?
The IUPAC name of (4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one (CID 120569626) is (4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for (4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one?
The canonical SMILES for (4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one is CC1NCCN(C(=O)[C@@H]2CSC(=O)N2)C1C.
What is the InChIKey of (4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one?
The InChIKey is FKILFXAFXSBTQF-RRQHEKLDSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6-7(2)13(4-3-11-6)9(14)8-5-16-10(15)12-8/h6-8,11H,3-5H2,1-2H3,(H,12,15)/t6?,7?,8-/m0/s1.
What are the key properties of (4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one?
(4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one has a molecular weight of 243.33 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 120569626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).