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

C26H22N2S — CID 139241039

IUPAC3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C)c(-c2sc3nc(-c4ccccc4)cn3c2-c2ccccc2)c(C)c1
InChIInChI=1S/C26H22N2S/c1-17-14-18(2)23(19(3)15-17)25-24(21-12-8-5-9-13-21)28-16-22(27-26(28)29-25)20-10-6-4-7-11-20/h4-16H,1-3H3
InChIKeySMKVXTWQECVSLM-UHFFFAOYSA-N
MW394.54 g/mol
LogP7.32
Rot. Bonds3

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

3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 139241039) has the molecular formula C26H22N2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID139241039
Molecular FormulaC26H22N2S
Molecular Weight394.54 g/mol
Exact Mass394.15
IUPAC Name3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C)c(-c2sc3nc(-c4ccccc4)cn3c2-c2ccccc2)c(C)c1
InChIInChI=1S/C26H22N2S/c1-17-14-18(2)23(19(3)15-17)25-24(21-12-8-5-9-13-21)28-16-22(27-26(28)29-25)20-10-6-4-7-11-20/h4-16H,1-3H3
InChIKeySMKVXTWQECVSLM-UHFFFAOYSA-N
XLogP7.32
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-6-phenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole
CID 139241032
2,3-bis(4-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole
CID 13353786
2,3-dimethyl-6-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole
CID 83086316
3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 1180418
2-(6-naphthalen-2-yl-3-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
CID 82035386
2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571656
7-amino-2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 139808441
3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
CID 12811336
[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane
CID 145482411
1,3-bis(2,4,6-trimethylphenyl)-2-benzothiophene
CID 14668871
4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
CID 132529641
N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide
CID 19164108

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole (CID 139241039) is 3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole is Cc1cc(C)c(-c2sc3nc(-c4ccccc4)cn3c2-c2ccccc2)c(C)c1.
What is the InChIKey of 3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is SMKVXTWQECVSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2S/c1-17-14-18(2)23(19(3)15-17)25-24(21-12-8-5-9-13-21)28-16-22(27-26(28)29-25)20-10-6-4-7-11-20/h4-16H,1-3H3.
What are the key properties of 3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole?
3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 394.54 g/mol, XLogP of 7.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 139241039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).