N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

C21H18ClN3OS — CID 118716433

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ccc(-c2csc3ncc(C(=O)NCCc4cccc(Cl)c4)n23)cc1
InChIInChI=1S/C21H18ClN3OS/c1-14-5-7-16(8-6-14)19-13-27-21-24-12-18(25(19)21)20(26)23-10-9-15-3-2-4-17(22)11-15/h2-8,11-13H,9-10H2,1H3,(H,23,26)
InChIKeyXLEXBEMTJAGGPY-UHFFFAOYSA-N
MW395.92 g/mol
LogP5.00
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 118716433) has the molecular formula C21H18ClN3OS and a molecular weight of 395.92 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID118716433
Molecular FormulaC21H18ClN3OS
Molecular Weight395.92 g/mol
Exact Mass395.09
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ccc(-c2csc3ncc(C(=O)NCCc4cccc(Cl)c4)n23)cc1
InChIInChI=1S/C21H18ClN3OS/c1-14-5-7-16(8-6-14)19-13-27-21-24-12-18(25(19)21)20(26)23-10-9-15-3-2-4-17(22)11-15/h2-8,11-13H,9-10H2,1H3,(H,23,26)
InChIKeyXLEXBEMTJAGGPY-UHFFFAOYSA-N
XLogP5.00
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butyl]-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 155564667
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 2997571
N-(4-(diethylamino)phenyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029593
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 46889992
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-methylthiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899753
2-(3,4-dichlorophenyl)-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 142505442
3-methyl-6-phenyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b]thiazole-2-carboxamide
CID 5310055
3-methyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b]thiazole-2-carboxamide
CID 5310093
2-(6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl)-N-(3-(diethylamino)propyl)acetamide
CID 7522241
N-(3,5-dimethylphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 16029597
N-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 16029630
N-(5-chloro-2-methylphenyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16034674

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 118716433) is N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1ccc(-c2csc3ncc(C(=O)NCCc4cccc(Cl)c4)n23)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is XLEXBEMTJAGGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3OS/c1-14-5-7-16(8-6-14)19-13-27-21-24-12-18(25(19)21)20(26)23-10-9-15-3-2-4-17(22)11-15/h2-8,11-13H,9-10H2,1H3,(H,23,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 395.92 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118716433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).