6-[5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-4-propan-2-yl-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C26H28F2N4O3S2 — CID 91312521

About 6-[5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-4-propan-2-yl-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-[5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-4-propan-2-yl-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 91312521) has the molecular formula C26H28F2N4O3S2 and a molecular weight of 546.67 g/mol. Its IUPAC name is 6-[5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-4-propan-2-yl-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-[5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-4-propan-2-yl-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• PubChem CID: 91312521
• Molecular Formula: C26H28F2N4O3S2
• Molecular Weight: 546.67 g/mol
• Exact Mass: 546.16
• IUPAC Name: 6-[5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-4-propan-2-yl-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• SMILES: CC(C)c1nc(-c2nc3sccn3c2C(N)=O)sc1C=Cc1cccc(OC(F)F)c1OCC(C)(C)C
• InChI: InChI=1S/C26H28F2N4O3S2/c1-14(2)18-17(37-23(30-18)19-20(22(29)33)32-11-12-36-25(32)31-19)10-9-15-7-6-8-16(35-24(27)28)21(15)34-13-26(3,4)5/h6-12,14,24H,13H2,1-5H3,(H2,29,33)
• InChIKey: SSBBVFMEHQEKAE-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 91.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.67
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-4-propan-2-yl-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

The IUPAC name of 6-[5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-4-propan-2-yl-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 91312521) is 6-[5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-4-propan-2-yl-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

What is the SMILES notation for 6-[5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-4-propan-2-yl-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

The canonical SMILES for 6-[5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-4-propan-2-yl-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is CC(C)c1nc(-c2nc3sccn3c2C(N)=O)sc1C=Cc1cccc(OC(F)F)c1OCC(C)(C)C.

What is the InChIKey of 6-[5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-4-propan-2-yl-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

The InChIKey is SSBBVFMEHQEKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O3S2/c1-14(2)18-17(37-23(30-18)19-20(22(29)33)32-11-12-36-25(32)31-19)10-9-15-7-6-8-16(35-24(27)28)21(15)34-13-26(3,4)5/h6-12,14,24H,13H2,1-5H3,(H2,29,33).

What are the key properties of 6-[5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-4-propan-2-yl-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

6-[5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-4-propan-2-yl-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 546.67 g/mol, XLogP of 6.94, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-4-propan-2-yl-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 91312521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).