6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C31H29FN4O3S — CID 71572707

About 6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 71572707) has the molecular formula C31H29FN4O3S and a molecular weight of 556.66 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
• PubChem CID: 71572707
• Molecular Formula: C31H29FN4O3S
• Molecular Weight: 556.66 g/mol
• Exact Mass: 556.19
• IUPAC Name: 6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ccccc4)c(OC)cc3C)cn12
• InChI: InChI=1S/C31H29FN4O3S/c1-18-15-24(39-5)23(28(37)35-31(2,3)20-9-7-6-8-10-20)16-22(18)25-17-36-27(29(38)33-4)26(34-30(36)40-25)19-11-13-21(32)14-12-19/h6-17H,1-5H3,(H,33,38)(H,35,37)
• InChIKey: WAPABQOLHQAJRI-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.66
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?

The IUPAC name of 6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 71572707) is 6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

What is the SMILES notation for 6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?

The canonical SMILES for 6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ccccc4)c(OC)cc3C)cn12.

What is the InChIKey of 6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?

The InChIKey is WAPABQOLHQAJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN4O3S/c1-18-15-24(39-5)23(28(37)35-31(2,3)20-9-7-6-8-10-20)16-22(18)25-17-36-27(29(38)33-4)26(34-30(36)40-25)19-11-13-21(32)14-12-19/h6-17H,1-5H3,(H,33,38)(H,35,37).

What are the key properties of 6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?

6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 556.66 g/mol, XLogP of 6.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-fluorophenyl)-2-[4-methoxy-2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 71572707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).