2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide

C22H20FN3O2S — CID 40509277

IUPAC2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCc4ccc(F)cc4)csc3n2)cc1
InChIInChI=1S/C22H20FN3O2S/c1-2-28-19-9-5-16(6-10-19)20-13-26-18(14-29-22(26)25-20)11-21(27)24-12-15-3-7-17(23)8-4-15/h3-10,13-14H,2,11-12H2,1H3,(H,24,27)
InChIKeyYAKUSEBWIHWHPH-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.46
Rot. Bonds7

About 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 40509277) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID40509277
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCc4ccc(F)cc4)csc3n2)cc1
InChIInChI=1S/C22H20FN3O2S/c1-2-28-19-9-5-16(6-10-19)20-13-26-18(14-29-22(26)25-20)11-21(27)24-12-15-3-7-17(23)8-4-15/h3-10,13-14H,2,11-12H2,1H3,(H,24,27)
InChIKeyYAKUSEBWIHWHPH-UHFFFAOYSA-N
XLogP4.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 40509277) is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide is CCOc1ccc(-c2cn3c(CC(=O)NCc4ccc(F)cc4)csc3n2)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is YAKUSEBWIHWHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c1-2-28-19-9-5-16(6-10-19)20-13-26-18(14-29-22(26)25-20)11-21(27)24-12-15-3-7-17(23)8-4-15/h3-10,13-14H,2,11-12H2,1H3,(H,24,27).
What are the key properties of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 40509277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).