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

C21H18N2O5S — CID 7916717

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C21H18N2O5S/c1-2-25-14-7-3-4-8-15(14)28-13-18(24)22-21-23-19(16-9-5-11-26-16)20(29-21)17-10-6-12-27-17/h3-12H,2,13H2,1H3,(H,22,23,24)
InChIKeyHAYAMJFUOQNJOW-UHFFFAOYSA-N
MW410.45 g/mol
LogP5.08
Rot. Bonds8

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

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 7916717) has the molecular formula C21H18N2O5S and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
PubChem CID7916717
Molecular FormulaC21H18N2O5S
Molecular Weight410.45 g/mol
Exact Mass410.09
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C21H18N2O5S/c1-2-25-14-7-3-4-8-15(14)28-13-18(24)22-21-23-19(16-9-5-11-26-16)20(29-21)17-10-6-12-27-17/h3-12H,2,13H2,1H3,(H,22,23,24)
InChIKeyHAYAMJFUOQNJOW-UHFFFAOYSA-N
XLogP5.08
TPSA86.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 55.08
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-ethoxyphenoxy)acetamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide (CID 7916717) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=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-ethoxyphenoxy)acetamide?
The InChIKey is HAYAMJFUOQNJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5S/c1-2-25-14-7-3-4-8-15(14)28-13-18(24)22-21-23-19(16-9-5-11-26-16)20(29-21)17-10-6-12-27-17/h3-12H,2,13H2,1H3,(H,22,23,24).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 410.45 g/mol, XLogP of 5.08, 8 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-ethoxyphenoxy)acetamide is sourced from PubChem (CID 7916717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).