N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide

C20H16N2O5S — CID 8001199

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C20H16N2O5S/c1-24-13-6-2-3-7-14(13)27-12-17(23)21-20-22-18(15-8-4-10-25-15)19(28-20)16-9-5-11-26-16/h2-11H,12H2,1H3,(H,21,22,23)
InChIKeyMHEMMZPLXVSHPG-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.69
Rot. Bonds7

About N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 8001199) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
PubChem CID8001199
Molecular FormulaC20H16N2O5S
Molecular Weight396.42 g/mol
Exact Mass396.08
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C20H16N2O5S/c1-24-13-6-2-3-7-14(13)27-12-17(23)21-20-22-18(15-8-4-10-25-15)19(28-20)16-9-5-11-26-16/h2-11H,12H2,1H3,(H,21,22,23)
InChIKeyMHEMMZPLXVSHPG-UHFFFAOYSA-N
XLogP4.69
TPSA86.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide (CID 8001199) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is MHEMMZPLXVSHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S/c1-24-13-6-2-3-7-14(13)27-12-17(23)21-20-22-18(15-8-4-10-25-15)19(28-20)16-9-5-11-26-16/h2-11H,12H2,1H3,(H,21,22,23).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 396.42 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 8001199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).