4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C12H12N2O2S — CID 2936260

IUPAC4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CCC(C3)C2C(=O)N1c1nccs1
InChIInChI=1S/C12H12N2O2S/c15-10-8-6-1-2-7(5-6)9(8)11(16)14(10)12-13-3-4-17-12/h3-4,6-9H,1-2,5H2
InChIKeyBJRMROHFZNCHNQ-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.68
Rot. Bonds1

About 4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 2936260) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID2936260
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CCC(C3)C2C(=O)N1c1nccs1
InChIInChI=1S/C12H12N2O2S/c15-10-8-6-1-2-7(5-6)9(8)11(16)14(10)12-13-3-4-17-12/h3-4,6-9H,1-2,5H2
InChIKeyBJRMROHFZNCHNQ-UHFFFAOYSA-N
XLogP1.68
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.68
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 4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 2936260) is 4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is O=C1C2C3CCC(C3)C2C(=O)N1c1nccs1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is BJRMROHFZNCHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-10-8-6-1-2-7(5-6)9(8)11(16)14(10)12-13-3-4-17-12/h3-4,6-9H,1-2,5H2.
What are the key properties of 4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 248.31 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 2936260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).