N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide

C22H20N4O2S — CID 52933454

IUPACN-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1cscn1)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C22H20N4O2S/c27-22(11-18-13-29-15-25-18)26-17-7-5-16(6-8-17)9-10-28-21-4-2-1-3-19(21)20-12-23-14-24-20/h1-8,12-15H,9-11H2,(H,23,24)(H,26,27)
InChIKeyCLKIDWTVRRPUIA-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.34
Rot. Bonds8

About N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide

N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide (PubChem CID 52933454) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide
PubChem CID52933454
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1cscn1)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C22H20N4O2S/c27-22(11-18-13-29-15-25-18)26-17-7-5-16(6-8-17)9-10-28-21-4-2-1-3-19(21)20-12-23-14-24-20/h1-8,12-15H,9-11H2,(H,23,24)(H,26,27)
InChIKeyCLKIDWTVRRPUIA-UHFFFAOYSA-N
XLogP4.34
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide (CID 52933454) is N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide is O=C(Cc1cscn1)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1.
What is the InChIKey of N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide?
The InChIKey is CLKIDWTVRRPUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c27-22(11-18-13-29-15-25-18)26-17-7-5-16(6-8-17)9-10-28-21-4-2-1-3-19(21)20-12-23-14-24-20/h1-8,12-15H,9-11H2,(H,23,24)(H,26,27).
What are the key properties of N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide?
N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide has a molecular weight of 404.50 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 52933454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).