Ethyl 2-{5-[(benzoyloxy)methyl]furan-2-YL}-1,3-thiazole-4-carboxylate

C18H15NO5S — CID 335824

IUPACethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1=CSC(=N1)C2=CC=C(O2)COC(=O)C3=CC=CC=C3
InChIInChI=1S/C18H15NO5S/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/h3-9,11H,2,10H2,1H3
InChIKeyUCKOUOQQQRABSM-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.70
Rot. Bonds8

About Ethyl 2-{5-[(benzoyloxy)methyl]furan-2-YL}-1,3-thiazole-4-carboxylate

Ethyl 2-{5-[(benzoyloxy)methyl]furan-2-YL}-1,3-thiazole-4-carboxylate (PubChem CID 335824) has the molecular formula C18H15NO5S and a molecular weight of 357.40 g/mol. Its IUPAC name is ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound NameEthyl 2-{5-[(benzoyloxy)methyl]furan-2-YL}-1,3-thiazole-4-carboxylate
PubChem CID335824
Molecular FormulaC18H15NO5S
Molecular Weight357.40 g/mol
Exact Mass357.07
IUPAC Nameethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1=CSC(=N1)C2=CC=C(O2)COC(=O)C3=CC=CC=C3
InChIInChI=1S/C18H15NO5S/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/h3-9,11H,2,10H2,1H3
InChIKeyUCKOUOQQQRABSM-UHFFFAOYSA-N
XLogP3.70
TPSA107.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity468

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

FR150011
CID 10159191
5-[2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl]furan-2-carboxylic acid
CID 10451079
(E)-3-(4-Fluoro-phenyl)-2-(4-furan-2-yl-thiazol-2-yl)-acrylonitrile
CID 6053780
Methyl 5-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2574284
[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol
CID 46948046
Ethyl 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylate
CID 46846512
Methyl 2-[5-(hydroxymethyl)-2-furyl]thiazole-4-carboxylate
CID 335823
Furan-2-yl-[4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]methanol
CID 49792166
4-[[2-(5-Methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine
CID 71896302
4H-1-Benzopyran-4-one, 3-(acetyloxy)-2-[2-(4-ethoxyphenyl)-4-thiazolyl]-
CID 378563
2-(Furan-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 64718344
[2-(5-Bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 5-methylfuran-2-carboxylate
CID 4856597

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-{5-[(benzoyloxy)methyl]furan-2-YL}-1,3-thiazole-4-carboxylate?
The IUPAC name of Ethyl 2-{5-[(benzoyloxy)methyl]furan-2-YL}-1,3-thiazole-4-carboxylate (CID 335824) is ethyl 2-[5-(benzoyloxymethyl)furan-2-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for Ethyl 2-{5-[(benzoyloxy)methyl]furan-2-YL}-1,3-thiazole-4-carboxylate?
The canonical SMILES for Ethyl 2-{5-[(benzoyloxy)methyl]furan-2-YL}-1,3-thiazole-4-carboxylate is CCOC(=O)C1=CSC(=N1)C2=CC=C(O2)COC(=O)C3=CC=CC=C3.
What is the InChIKey of Ethyl 2-{5-[(benzoyloxy)methyl]furan-2-YL}-1,3-thiazole-4-carboxylate?
The InChIKey is UCKOUOQQQRABSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5S/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/h3-9,11H,2,10H2,1H3.
What are the key properties of Ethyl 2-{5-[(benzoyloxy)methyl]furan-2-YL}-1,3-thiazole-4-carboxylate?
Ethyl 2-{5-[(benzoyloxy)methyl]furan-2-YL}-1,3-thiazole-4-carboxylate has a molecular weight of 357.40 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 2-{5-[(benzoyloxy)methyl]furan-2-YL}-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 335824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).