N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C21H18FN3OS — CID 22578767

IUPACN-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)c1
InChIInChI=1S/C21H18FN3OS/c1-12-4-5-13(2)17(10-12)23-20(26)19-14(3)25-11-18(24-21(25)27-19)15-6-8-16(22)9-7-15/h4-11H,1-3H3,(H,23,26)
InChIKeyRVNOEFZCQFXNGE-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.38
Rot. Bonds3

About N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 22578767) has the molecular formula C21H18FN3OS and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID22578767
Molecular FormulaC21H18FN3OS
Molecular Weight379.46 g/mol
Exact Mass379.12
IUPAC NameN-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)c1
InChIInChI=1S/C21H18FN3OS/c1-12-4-5-13(2)17(10-12)23-20(26)19-14(3)25-11-18(24-21(25)27-19)15-6-8-16(22)9-7-15/h4-11H,1-3H3,(H,23,26)
InChIKeyRVNOEFZCQFXNGE-UHFFFAOYSA-N
XLogP5.38
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 27542845
N-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861701
N-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348866
N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348877
N-(2,4-difluorophenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861749
1-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224521
6-(4-fluorophenyl)-3-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 39084778
N-(3-fluoro-4-methylphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348922
N-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 43953478
6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide
CID 74381335
1-[3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224511
6-(4-fluorophenyl)-N-[(4-iodophenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348878

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 22578767) is N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1ccc(C)c(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is RVNOEFZCQFXNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS/c1-12-4-5-13(2)17(10-12)23-20(26)19-14(3)25-11-18(24-21(25)27-19)15-6-8-16(22)9-7-15/h4-11H,1-3H3,(H,23,26).
What are the key properties of N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 22578767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).