6-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

C26H26F2N4O3S2 — CID 46833852

About 6-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 46833852) has the molecular formula C26H26F2N4O3S2 and a molecular weight of 544.65 g/mol. Its IUPAC name is 6-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
• PubChem CID: 46833852
• Molecular Formula: C26H26F2N4O3S2
• Molecular Weight: 544.65 g/mol
• Exact Mass: 544.14
• IUPAC Name: 6-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
• SMILES: CC(C)(C)COc1c(/C=C/c2nc3sccn3c2C(=O)Nc2nc3c(s2)CCC3)cccc1OC(F)F
• InChI: InChI=1S/C26H26F2N4O3S2/c1-26(2,3)14-34-21-15(6-4-8-18(21)35-23(27)28)10-11-17-20(32-12-13-36-25(32)30-17)22(33)31-24-29-16-7-5-9-19(16)37-24/h4,6,8,10-13,23H,5,7,9,14H2,1-3H3,(H,29,31,33)/b11-10+
• InChIKey: HVEWWSZNDCOJAM-ZHACJKMWSA-N
• XLogP: 6.79
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.65
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 46833852) is 6-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.

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

The canonical SMILES for 6-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is CC(C)(C)COc1c(/C=C/c2nc3sccn3c2C(=O)Nc2nc3c(s2)CCC3)cccc1OC(F)F.

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

The InChIKey is HVEWWSZNDCOJAM-ZHACJKMWSA-N. The full InChI is InChI=1S/C26H26F2N4O3S2/c1-26(2,3)14-34-21-15(6-4-8-18(21)35-23(27)28)10-11-17-20(32-12-13-36-25(32)30-17)22(33)31-24-29-16-7-5-9-19(16)37-24/h4,6,8,10-13,23H,5,7,9,14H2,1-3H3,(H,29,31,33)/b11-10+.

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

6-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 544.65 g/mol, XLogP of 6.79, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 46833852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).