1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione

C12H14I2N2O2S — CID 118889134

IUPAC1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione
SMILESCC(I)(I)c1csc(CCN2C(=O)CCCC2=O)n1
InChIInChI=1S/C12H14I2N2O2S/c1-12(13,14)8-7-19-9(15-8)5-6-16-10(17)3-2-4-11(16)18/h7H,2-6H2,1H3
InChIKeyDIPZWXWJIBPEKK-UHFFFAOYSA-N
MW504.13 g/mol
LogP3.27
Rot. Bonds4

About 1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione

1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione (PubChem CID 118889134) has the molecular formula C12H14I2N2O2S and a molecular weight of 504.13 g/mol. Its IUPAC name is 1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione
PubChem CID118889134
Molecular FormulaC12H14I2N2O2S
Molecular Weight504.13 g/mol
Exact Mass503.89
IUPAC Name1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione
SMILESCC(I)(I)c1csc(CCN2C(=O)CCCC2=O)n1
InChIInChI=1S/C12H14I2N2O2S/c1-12(13,14)8-7-19-9(15-8)5-6-16-10(17)3-2-4-11(16)18/h7H,2-6H2,1H3
InChIKeyDIPZWXWJIBPEKK-UHFFFAOYSA-N
XLogP3.27
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.13
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione (CID 118889134) is 1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione is CC(I)(I)c1csc(CCN2C(=O)CCCC2=O)n1.
What is the InChIKey of 1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione?
The InChIKey is DIPZWXWJIBPEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14I2N2O2S/c1-12(13,14)8-7-19-9(15-8)5-6-16-10(17)3-2-4-11(16)18/h7H,2-6H2,1H3.
What are the key properties of 1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione?
1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione has a molecular weight of 504.13 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione is sourced from PubChem (CID 118889134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).