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

C22H20ClN3O2S — CID 22575952

IUPAC2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1
InChIInChI=1S/C22H20ClN3O2S/c1-28-19-8-2-15(3-9-19)10-11-24-21(27)12-18-14-29-22-25-20(13-26(18)22)16-4-6-17(23)7-5-16/h2-9,13-14H,10-12H2,1H3,(H,24,27)
InChIKeyNMVYMVYWTPOUEU-UHFFFAOYSA-N
MW425.94 g/mol
LogP4.63
Rot. Bonds7

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

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 22575952) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID22575952
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1
InChIInChI=1S/C22H20ClN3O2S/c1-28-19-8-2-15(3-9-19)10-11-24-21(27)12-18-14-29-22-25-20(13-26(18)22)16-4-6-17(23)7-5-16/h2-9,13-14H,10-12H2,1H3,(H,24,27)
InChIKeyNMVYMVYWTPOUEU-UHFFFAOYSA-N
XLogP4.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038539
N-[2-(4-methoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509404
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide
CID 40509284
2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl-dimethylazanium
CID 7522236
2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 121038638
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 121038440
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-methylpropyl)acetamide
CID 7522219
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)propanamide
CID 27377169
N-[3-(diethylamino)propyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509101
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7522319
N-[2-(2-methoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509412
N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53122608

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 22575952) is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1.
What is the InChIKey of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is NMVYMVYWTPOUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c1-28-19-8-2-15(3-9-19)10-11-24-21(27)12-18-14-29-22-25-20(13-26(18)22)16-4-6-17(23)7-5-16/h2-9,13-14H,10-12H2,1H3,(H,24,27).
What are the key properties of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 425.94 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 22575952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).