6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C22H21N3OS — CID 42271756

IUPAC6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(-c2cn3c(C(=O)Nc4c(C)cc(C)cc4C)csc3n2)cc1
InChIInChI=1S/C22H21N3OS/c1-13-5-7-17(8-6-13)18-11-25-19(12-27-22(25)23-18)21(26)24-20-15(3)9-14(2)10-16(20)4/h5-12H,1-4H3,(H,24,26)
InChIKeyYRHVMYJDQFPNED-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.55
Rot. Bonds3

About 6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42271756) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42271756
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(-c2cn3c(C(=O)Nc4c(C)cc(C)cc4C)csc3n2)cc1
InChIInChI=1S/C22H21N3OS/c1-13-5-7-17(8-6-13)18-11-25-19(12-27-22(25)23-18)21(26)24-20-15(3)9-14(2)10-16(20)4/h5-12H,1-4H3,(H,24,26)
InChIKeyYRHVMYJDQFPNED-UHFFFAOYSA-N
XLogP5.55
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271785
N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271784
N-(4-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271771
N-(4-fluorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271703
N-(2-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271748
6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271716
ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate
CID 42271723
N-(5-chloro-2-methylphenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270583
N-(2,6-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271121
N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271565
N-[3-(dimethylamino)propyl]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271640
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
CID 42271654

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42271756) is 6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is Cc1ccc(-c2cn3c(C(=O)Nc4c(C)cc(C)cc4C)csc3n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is YRHVMYJDQFPNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-13-5-7-17(8-6-13)18-11-25-19(12-27-22(25)23-18)21(26)24-20-15(3)9-14(2)10-16(20)4/h5-12H,1-4H3,(H,24,26).
What are the key properties of 6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42271756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).