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

C30H27FN4O3S — CID 71572593

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

6-(4-fluorophenyl)-2-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 71572593) has the molecular formula C30H27FN4O3S and a molecular weight of 542.64 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-(4-fluorophenyl)-2-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
• PubChem CID: 71572593
• Molecular Formula: C30H27FN4O3S
• Molecular Weight: 542.64 g/mol
• Exact Mass: 542.18
• IUPAC Name: 6-(4-fluorophenyl)-2-[2-methoxy-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)ccc3OC)cn12
• InChI: InChI=1S/C30H27FN4O3S/c1-30(2,20-8-6-5-7-9-20)34-27(36)19-12-15-23(38-4)22(16-19)24-17-35-26(28(37)32-3)25(33-29(35)39-24)18-10-13-21(31)14-11-18/h5-17H,1-4H3,(H,32,37)(H,34,36)
• InChIKey: DVVVAKDYUGDJGC-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.64
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-(4-fluorophenyl)-2-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 71572593) is 6-(4-fluorophenyl)-2-[2-methoxy-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-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?

The canonical SMILES for 6-(4-fluorophenyl)-2-[2-methoxy-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)ccc3OC)cn12.

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

The InChIKey is DVVVAKDYUGDJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O3S/c1-30(2,20-8-6-5-7-9-20)34-27(36)19-12-15-23(38-4)22(16-19)24-17-35-26(28(37)32-3)25(33-29(35)39-24)18-10-13-21(31)14-11-18/h5-17H,1-4H3,(H,32,37)(H,34,36).

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

6-(4-fluorophenyl)-2-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 542.64 g/mol, XLogP of 5.90, 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-[2-methoxy-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 71572593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).