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

C21H20N4O2S — CID 40509251

IUPAC2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCc4cccnc4)csc3n2)cc1
InChIInChI=1S/C21H20N4O2S/c1-2-27-18-7-5-16(6-8-18)19-13-25-17(14-28-21(25)24-19)10-20(26)23-12-15-4-3-9-22-11-15/h3-9,11,13-14H,2,10,12H2,1H3,(H,23,26)
InChIKeyATHQYORLBRBCSU-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.72
Rot. Bonds7

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

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 40509251) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID40509251
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCc4cccnc4)csc3n2)cc1
InChIInChI=1S/C21H20N4O2S/c1-2-27-18-7-5-16(6-8-18)19-13-25-17(14-28-21(25)24-19)10-20(26)23-12-15-4-3-9-22-11-15/h3-9,11,13-14H,2,10,12H2,1H3,(H,23,26)
InChIKeyATHQYORLBRBCSU-UHFFFAOYSA-N
XLogP3.72
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 40509251) is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-3-ylmethyl)acetamide is CCOc1ccc(-c2cn3c(CC(=O)NCc4cccnc4)csc3n2)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ATHQYORLBRBCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-2-27-18-7-5-16(6-8-18)19-13-25-17(14-28-21(25)24-19)10-20(26)23-12-15-4-3-9-22-11-15/h3-9,11,13-14H,2,10,12H2,1H3,(H,23,26).
What are the key properties of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 392.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 40509251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).