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

C21H18FN3OS — CID 41348866

IUPACN-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C21H18FN3OS/c1-12-5-4-6-13(2)18(12)24-20(26)19-14(3)25-11-17(23-21(25)27-19)15-7-9-16(22)10-8-15/h4-11H,1-3H3,(H,24,26)
InChIKeyRDUTXRWTQBYECI-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.38
Rot. Bonds3

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

N-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 41348866) has the molecular formula C21H18FN3OS and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID41348866
Molecular FormulaC21H18FN3OS
Molecular Weight379.46 g/mol
Exact Mass379.12
IUPAC NameN-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C21H18FN3OS/c1-12-5-4-6-13(2)18(12)24-20(26)19-14(3)25-11-17(23-21(25)27-19)15-7-9-16(22)10-8-15/h4-11H,1-3H3,(H,24,26)
InChIKeyRDUTXRWTQBYECI-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-(2,6-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

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 41348866) is N-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1cccc(C)c1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is RDUTXRWTQBYECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS/c1-12-5-4-6-13(2)18(12)24-20(26)19-14(3)25-11-17(23-21(25)27-19)15-7-9-16(22)10-8-15/h4-11H,1-3H3,(H,24,26).
What are the key properties of N-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-(2,6-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-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 41348866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).