1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione

C11H13ClN2O2S — CID 79764097

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2cnc(Cl)s2)C(=O)C1
InChIInChI=1S/C11H13ClN2O2S/c1-11(2)3-8(15)14(9(16)4-11)6-7-5-13-10(12)17-7/h5H,3-4,6H2,1-2H3
InChIKeyKWLCBQQBOCRPEI-UHFFFAOYSA-N
MW272.76 g/mol
LogP2.47
Rot. Bonds2

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 79764097) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID79764097
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2cnc(Cl)s2)C(=O)C1
InChIInChI=1S/C11H13ClN2O2S/c1-11(2)3-8(15)14(9(16)4-11)6-7-5-13-10(12)17-7/h5H,3-4,6H2,1-2H3
InChIKeyKWLCBQQBOCRPEI-UHFFFAOYSA-N
XLogP2.47
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione (CID 79764097) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(Cc2cnc(Cl)s2)C(=O)C1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is KWLCBQQBOCRPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c1-11(2)3-8(15)14(9(16)4-11)6-7-5-13-10(12)17-7/h5H,3-4,6H2,1-2H3.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 272.76 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 79764097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).