4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione

C9H10ClN3O2S — CID 83155750

IUPAC4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1nc(Cl)cs1
InChIInChI=1S/C9H10ClN3O2S/c1-9(2)7(15)12-6(14)3-13(9)8-11-5(10)4-16-8/h4H,3H2,1-2H3,(H,12,14,15)
InChIKeyIPKUHSPJNZTVAI-UHFFFAOYSA-N
MW259.72 g/mol
LogP1.04
Rot. Bonds1

About 4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione

4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 83155750) has the molecular formula C9H10ClN3O2S and a molecular weight of 259.72 g/mol. Its IUPAC name is 4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID83155750
Molecular FormulaC9H10ClN3O2S
Molecular Weight259.72 g/mol
Exact Mass259.02
IUPAC Name4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1nc(Cl)cs1
InChIInChI=1S/C9H10ClN3O2S/c1-9(2)7(15)12-6(14)3-13(9)8-11-5(10)4-16-8/h4H,3H2,1-2H3,(H,12,14,15)
InChIKeyIPKUHSPJNZTVAI-UHFFFAOYSA-N
XLogP1.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione (CID 83155750) is 4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1c1nc(Cl)cs1.
What is the InChIKey of 4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is IPKUHSPJNZTVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2S/c1-9(2)7(15)12-6(14)3-13(9)8-11-5(10)4-16-8/h4H,3H2,1-2H3,(H,12,14,15).
What are the key properties of 4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione?
4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 259.72 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 83155750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).