6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C28H22FN5O2S — CID 71572034

About 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 71572034) has the molecular formula C28H22FN5O2S and a molecular weight of 511.58 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• PubChem CID: 71572034
• Molecular Formula: C28H22FN5O2S
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.15
• IUPAC Name: 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cccc(C(=O)NC4(c5ccccn5)CC4)c3)cn12
• InChI: InChI=1S/C28H22FN5O2S/c1-30-26(36)24-23(17-8-10-20(29)11-9-17)32-27-34(24)16-21(37-27)18-5-4-6-19(15-18)25(35)33-28(12-13-28)22-7-2-3-14-31-22/h2-11,14-16H,12-13H2,1H3,(H,30,36)(H,33,35)
• InChIKey: OYPWLGMBUAKDHG-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 88.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.58
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

The IUPAC name of 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 71572034) is 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

What is the SMILES notation for 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

The canonical SMILES for 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cccc(C(=O)NC4(c5ccccn5)CC4)c3)cn12.

What is the InChIKey of 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

The InChIKey is OYPWLGMBUAKDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN5O2S/c1-30-26(36)24-23(17-8-10-20(29)11-9-17)32-27-34(24)16-21(37-27)18-5-4-6-19(15-18)25(35)33-28(12-13-28)22-7-2-3-14-31-22/h2-11,14-16H,12-13H2,1H3,(H,30,36)(H,33,35).

What are the key properties of 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 511.58 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 71572034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).