6-cyclopentyl-6-[2-(1,3-thiazol-2-yl)ethyl]oxane-2,4-dione

C15H19NO3S — CID 16728680

IUPAC6-cyclopentyl-6-[2-(1,3-thiazol-2-yl)ethyl]oxane-2,4-dione
SMILESO=C1CC(=O)OC(CCc2nccs2)(C2CCCC2)C1
InChIInChI=1S/C15H19NO3S/c17-12-9-14(18)19-15(10-12,11-3-1-2-4-11)6-5-13-16-7-8-20-13/h7-8,11H,1-6,9-10H2
InChIKeyVMVNCOUWCPQOAF-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.91
Rot. Bonds4

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

6-cyclopentyl-6-[2-(1,3-thiazol-2-yl)ethyl]oxane-2,4-dione (PubChem CID 16728680) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 6-cyclopentyl-6-[2-(1,3-thiazol-2-yl)ethyl]oxane-2,4-dione.

Molecular Properties

Compound Name6-cyclopentyl-6-[2-(1,3-thiazol-2-yl)ethyl]oxane-2,4-dione
PubChem CID16728680
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name6-cyclopentyl-6-[2-(1,3-thiazol-2-yl)ethyl]oxane-2,4-dione
SMILESO=C1CC(=O)OC(CCc2nccs2)(C2CCCC2)C1
InChIInChI=1S/C15H19NO3S/c17-12-9-14(18)19-15(10-12,11-3-1-2-4-11)6-5-13-16-7-8-20-13/h7-8,11H,1-6,9-10H2
InChIKeyVMVNCOUWCPQOAF-UHFFFAOYSA-N
XLogP2.91
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-6-[2-(1,3-thiazol-2-yl)ethyl]oxane-2,4-dione?
The IUPAC name of 6-cyclopentyl-6-[2-(1,3-thiazol-2-yl)ethyl]oxane-2,4-dione (CID 16728680) is 6-cyclopentyl-6-[2-(1,3-thiazol-2-yl)ethyl]oxane-2,4-dione.
What is the SMILES notation for 6-cyclopentyl-6-[2-(1,3-thiazol-2-yl)ethyl]oxane-2,4-dione?
The canonical SMILES for 6-cyclopentyl-6-[2-(1,3-thiazol-2-yl)ethyl]oxane-2,4-dione is O=C1CC(=O)OC(CCc2nccs2)(C2CCCC2)C1.
What is the InChIKey of 6-cyclopentyl-6-[2-(1,3-thiazol-2-yl)ethyl]oxane-2,4-dione?
The InChIKey is VMVNCOUWCPQOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c17-12-9-14(18)19-15(10-12,11-3-1-2-4-11)6-5-13-16-7-8-20-13/h7-8,11H,1-6,9-10H2.
What are the key properties of 6-cyclopentyl-6-[2-(1,3-thiazol-2-yl)ethyl]oxane-2,4-dione?
6-cyclopentyl-6-[2-(1,3-thiazol-2-yl)ethyl]oxane-2,4-dione has a molecular weight of 293.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-6-[2-(1,3-thiazol-2-yl)ethyl]oxane-2,4-dione is sourced from PubChem (CID 16728680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).