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

C26H26F2N4O3S2 — CID 91566330

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

6-[4-cyclopropyl-5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 91566330) has the molecular formula C26H26F2N4O3S2 and a molecular weight of 544.65 g/mol. Its IUPAC name is 6-[4-cyclopropyl-5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-[4-cyclopropyl-5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• PubChem CID: 91566330
• Molecular Formula: C26H26F2N4O3S2
• Molecular Weight: 544.65 g/mol
• Exact Mass: 544.14
• IUPAC Name: 6-[4-cyclopropyl-5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• SMILES: CC(C)(C)COc1c(C=Cc2sc(-c3nc4sccn4c3C(N)=O)nc2C2CC2)cccc1OC(F)F
• InChI: InChI=1S/C26H26F2N4O3S2/c1-26(2,3)13-34-21-15(5-4-6-16(21)35-24(27)28)9-10-17-18(14-7-8-14)30-23(37-17)19-20(22(29)33)32-11-12-36-25(32)31-19/h4-6,9-12,14,24H,7-8,13H2,1-3H3,(H2,29,33)
• InChIKey: VTTGAQCLHQLDHM-UHFFFAOYSA-N
• XLogP: 6.69
• 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	544.65
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[4-cyclopropyl-5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 91566330) is 6-[4-cyclopropyl-5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

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

The canonical SMILES for 6-[4-cyclopropyl-5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is CC(C)(C)COc1c(C=Cc2sc(-c3nc4sccn4c3C(N)=O)nc2C2CC2)cccc1OC(F)F.

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

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

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

6-[4-cyclopropyl-5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-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 6.69, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-cyclopropyl-5-[2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 91566330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).