ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate

C18H17NO5S — CID 135009612

IUPACethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1CSC(c2ccc(COC(=O)c3ccccc3)o2)=N1
InChIInChI=1S/C18H17NO5S/c1-2-22-18(21)14-11-25-16(19-14)15-9-8-13(24-15)10-23-17(20)12-6-4-3-5-7-12/h3-9,14H,2,10-11H2,1H3
InChIKeyWOTZXDQDUPRTLM-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.06
Rot. Bonds6

About ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate

ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 135009612) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID135009612
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Nameethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1CSC(c2ccc(COC(=O)c3ccccc3)o2)=N1
InChIInChI=1S/C18H17NO5S/c1-2-22-18(21)14-11-25-16(19-14)15-9-8-13(24-15)10-23-17(20)12-6-4-3-5-7-12/h3-9,14H,2,10-11H2,1H3
InChIKeyWOTZXDQDUPRTLM-UHFFFAOYSA-N
XLogP3.06
TPSA78.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 135009612) is ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate is CCOC(=O)C1CSC(c2ccc(COC(=O)c3ccccc3)o2)=N1.
What is the InChIKey of ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is WOTZXDQDUPRTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-2-22-18(21)14-11-25-16(19-14)15-9-8-13(24-15)10-23-17(20)12-6-4-3-5-7-12/h3-9,14H,2,10-11H2,1H3.
What are the key properties of ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate?
ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 359.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 135009612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).