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

C21H18ClN3O2S — CID 7522332

IUPAC2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C21H18ClN3O2S/c1-27-19-5-3-2-4-15(19)11-23-20(26)10-17-13-28-21-24-18(12-25(17)21)14-6-8-16(22)9-7-14/h2-9,12-13H,10-11H2,1H3,(H,23,26)
InChIKeyBJMJLISMUIRDBA-UHFFFAOYSA-N
MW411.91 g/mol
LogP4.58
Rot. Bonds6

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

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 7522332) has the molecular formula C21H18ClN3O2S and a molecular weight of 411.91 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID7522332
Molecular FormulaC21H18ClN3O2S
Molecular Weight411.91 g/mol
Exact Mass411.08
IUPAC Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C21H18ClN3O2S/c1-27-19-5-3-2-4-15(19)11-23-20(26)10-17-13-28-21-24-18(12-25(17)21)14-6-8-16(22)9-7-14/h2-9,12-13H,10-11H2,1H3,(H,23,26)
InChIKeyBJMJLISMUIRDBA-UHFFFAOYSA-N
XLogP4.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-2-methoxybenzamide
CID 752438
2-(3,4-dichlorophenyl)-N-[[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 142505369
N-isopropyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3241505
N-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 5158449
5-chloro-2-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
CID 5310155
N-(4-methoxybenzyl)-2-(6-(p-tolyl)imidazo[2,1-b]thiazol-3-yl)acetamide
CID 16029114
[6-(4-Chlorophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid 2-hydroxybenzylidenehydrazide
CID 135968290
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 3241775
3-(4-methoxyphenyl)-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]propanamide
CID 5310025
2-(4-ethoxyphenyl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]acetamide
CID 5310225
N-[(2-Methoxyphenyl)methyl]-2-{6-phenylimidazo[2,1-B][1,3]thiazol-3-YL}acetamide
CID 7522487
2-{[5-(4-Chlorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-YL]sulfanyl}-N-(1,3-thiazol-2-YL)acetamide
CID 15945459

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 7522332) is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is BJMJLISMUIRDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2S/c1-27-19-5-3-2-4-15(19)11-23-20(26)10-17-13-28-21-24-18(12-25(17)21)14-6-8-16(22)9-7-14/h2-9,12-13H,10-11H2,1H3,(H,23,26).
What are the key properties of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 411.91 g/mol, XLogP of 4.58, 6 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-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 7522332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).