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

C22H21N3O3S — CID 40509577

IUPACN-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cc2csc3nc(-c4cccc(OC)c4)cn23)cc1
InChIInChI=1S/C22H21N3O3S/c1-3-28-18-9-7-16(8-10-18)23-21(26)12-17-14-29-22-24-20(13-25(17)22)15-5-4-6-19(11-15)27-2/h4-11,13-14H,3,12H2,1-2H3,(H,23,26)
InChIKeyUQZHEHFEEMTBPG-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.65
Rot. Bonds7

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

N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 40509577) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID40509577
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cc2csc3nc(-c4cccc(OC)c4)cn23)cc1
InChIInChI=1S/C22H21N3O3S/c1-3-28-18-9-7-16(8-10-18)23-21(26)12-17-14-29-22-24-20(13-25(17)22)15-5-4-6-19(11-15)27-2/h4-11,13-14H,3,12H2,1-2H3,(H,23,26)
InChIKeyUQZHEHFEEMTBPG-UHFFFAOYSA-N
XLogP4.65
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044612
N-[3,5-bis(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044670
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044639
2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)acetamide
CID 53122639
N,N-diethyl-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509499
N-(3-chloro-4-methylphenyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044362
N-(2-methoxy-5-methylphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509596
2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 29044651
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 121038392
N-(3,4-dichlorophenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044229
4-[[2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
CID 40509193
N-(3,4-dimethoxyphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044188

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 40509577) is N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is CCOc1ccc(NC(=O)Cc2csc3nc(-c4cccc(OC)c4)cn23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is UQZHEHFEEMTBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-3-28-18-9-7-16(8-10-18)23-21(26)12-17-14-29-22-24-20(13-25(17)22)15-5-4-6-19(11-15)27-2/h4-11,13-14H,3,12H2,1-2H3,(H,23,26).
What are the key properties of N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 407.50 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 40509577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).