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

C22H21N3O2S — CID 40509246

IUPACN-benzyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCc4ccccc4)csc3n2)cc1
InChIInChI=1S/C22H21N3O2S/c1-2-27-19-10-8-17(9-11-19)20-14-25-18(15-28-22(25)24-20)12-21(26)23-13-16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3,(H,23,26)
InChIKeyHTWRWQXCVMRFAS-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.32
Rot. Bonds7

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

N-benzyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 40509246) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-benzyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID40509246
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-benzyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCc4ccccc4)csc3n2)cc1
InChIInChI=1S/C22H21N3O2S/c1-2-27-19-10-8-17(9-11-19)20-14-25-18(15-28-22(25)24-20)12-21(26)23-13-16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3,(H,23,26)
InChIKeyHTWRWQXCVMRFAS-UHFFFAOYSA-N
XLogP4.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 40509246) is N-benzyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is CCOc1ccc(-c2cn3c(CC(=O)NCc4ccccc4)csc3n2)cc1.
What is the InChIKey of N-benzyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is HTWRWQXCVMRFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-2-27-19-10-8-17(9-11-19)20-14-25-18(15-28-22(25)24-20)12-21(26)23-13-16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3,(H,23,26).
What are the key properties of N-benzyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-benzyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 391.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 40509246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).