3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole

C21H20N2S — CID 139241032

IUPAC3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C)c(-c2sc3nc(-c4ccccc4)cn3c2C)c(C)c1
InChIInChI=1S/C21H20N2S/c1-13-10-14(2)19(15(3)11-13)20-16(4)23-12-18(22-21(23)24-20)17-8-6-5-7-9-17/h5-12H,1-4H3
InChIKeyZZUQIDCRROTJLR-UHFFFAOYSA-N
MW332.47 g/mol
LogP5.96
Rot. Bonds2

About 3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole

3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 139241032) has the molecular formula C21H20N2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID139241032
Molecular FormulaC21H20N2S
Molecular Weight332.47 g/mol
Exact Mass332.13
IUPAC Name3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C)c(-c2sc3nc(-c4ccccc4)cn3c2C)c(C)c1
InChIInChI=1S/C21H20N2S/c1-13-10-14(2)19(15(3)11-13)20-16(4)23-12-18(22-21(23)24-20)17-8-6-5-7-9-17/h5-12H,1-4H3
InChIKeyZZUQIDCRROTJLR-UHFFFAOYSA-N
XLogP5.96
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.47
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole
CID 139241039
2,3-dimethyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole
CID 83086316
N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide
CID 19164108
3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3610143
2,3-dimethyl-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole
CID 113225142
1-[3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224511
(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-morpholin-4-ylmethanone
CID 3245660
6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride
CID 75539374
N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 7080139
2,3-bis(4-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole
CID 13353786
3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone
CID 3245021
1,3-bis(2,4,6-trimethylphenyl)-2-benzothiophene
CID 14668871

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole (CID 139241032) is 3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole is Cc1cc(C)c(-c2sc3nc(-c4ccccc4)cn3c2C)c(C)c1.
What is the InChIKey of 3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is ZZUQIDCRROTJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2S/c1-13-10-14(2)19(15(3)11-13)20-16(4)23-12-18(22-21(23)24-20)17-8-6-5-7-9-17/h5-12H,1-4H3.
What are the key properties of 3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole?
3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 332.47 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 139241032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).