5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole

C25H23N3O2S — CID 54613584

IUPAC5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole
SMILESCOc1ccc(-c2nc3sccn3c2-c2cc(-c3ccc(C(C)(C)C)cc3)on2)cc1
InChIInChI=1S/C25H23N3O2S/c1-25(2,3)18-9-5-16(6-10-18)21-15-20(27-30-21)23-22(26-24-28(23)13-14-31-24)17-7-11-19(29-4)12-8-17/h5-15H,1-4H3
InChIKeyCGCWEIYNLFFZHH-UHFFFAOYSA-N
MW429.55 g/mol
LogP6.69
Rot. Bonds4

About 5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole

5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole (PubChem CID 54613584) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole
PubChem CID54613584
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole
SMILESCOc1ccc(-c2nc3sccn3c2-c2cc(-c3ccc(C(C)(C)C)cc3)on2)cc1
InChIInChI=1S/C25H23N3O2S/c1-25(2,3)18-9-5-16(6-10-18)21-15-20(27-30-21)23-22(26-24-28(23)13-14-31-24)17-7-11-19(29-4)12-8-17/h5-15H,1-4H3
InChIKeyCGCWEIYNLFFZHH-UHFFFAOYSA-N
XLogP6.69
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole 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 5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole?
The IUPAC name of 5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole (CID 54613584) is 5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole is COc1ccc(-c2nc3sccn3c2-c2cc(-c3ccc(C(C)(C)C)cc3)on2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole?
The InChIKey is CGCWEIYNLFFZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-25(2,3)18-9-5-16(6-10-18)21-15-20(27-30-21)23-22(26-24-28(23)13-14-31-24)17-7-11-19(29-4)12-8-17/h5-15H,1-4H3.
What are the key properties of 5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole?
5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole has a molecular weight of 429.55 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 54613584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).