cyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate

C15H15NO3S — CID 134019054

IUPACcyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate
SMILESO=C(OCC1CC=CCC1)c1csc(-c2ccco2)n1
InChIInChI=1S/C15H15NO3S/c17-15(19-9-11-5-2-1-3-6-11)12-10-20-14(16-12)13-7-4-8-18-13/h1-2,4,7-8,10-11H,3,5-6,9H2
InChIKeyQOQVWGIEYJNKOS-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.92
Rot. Bonds4

About cyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate

cyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 134019054) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID134019054
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namecyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate
SMILESO=C(OCC1CC=CCC1)c1csc(-c2ccco2)n1
InChIInChI=1S/C15H15NO3S/c17-15(19-9-11-5-2-1-3-6-11)12-10-20-14(16-12)13-7-4-8-18-13/h1-2,4,7-8,10-11H,3,5-6,9H2
InChIKeyQOQVWGIEYJNKOS-UHFFFAOYSA-N
XLogP3.92
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of cyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate (CID 134019054) is cyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for cyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for cyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate is O=C(OCC1CC=CCC1)c1csc(-c2ccco2)n1.
What is the InChIKey of cyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is QOQVWGIEYJNKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-15(19-9-11-5-2-1-3-6-11)12-10-20-14(16-12)13-7-4-8-18-13/h1-2,4,7-8,10-11H,3,5-6,9H2.
What are the key properties of cyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate?
cyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 289.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 134019054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).