imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone

C24H21F3N6O4S — CID 86688486

About imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone

imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone (PubChem CID 86688486) has the molecular formula C24H21F3N6O4S and a molecular weight of 546.53 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone
• PubChem CID: 86688486
• Molecular Formula: C24H21F3N6O4S
• Molecular Weight: 546.53 g/mol
• Exact Mass: 546.13
• IUPAC Name: imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone
• SMILES: COc1ncc(N2CCOc3cnc(O[C@H]4CCN(C(=O)c5cn6ccsc6n5)C4)cc32)cc1C(F)(F)F
• InChI: InChI=1S/C24H21F3N6O4S/c1-35-21-16(24(25,26)27)8-14(10-29-21)33-4-6-36-19-11-28-20(9-18(19)33)37-15-2-3-31(12-15)22(34)17-13-32-5-7-38-23(32)30-17/h5,7-11,13,15H,2-4,6,12H2,1H3/t15-/m0/s1
• InChIKey: LFEGLYKIYGAIJZ-HNNXBMFYSA-N
• XLogP: 4.04
• TPSA: 94.32 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.53
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone?

The IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone (CID 86688486) is imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone.

What is the SMILES notation for imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone?

The canonical SMILES for imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone is COc1ncc(N2CCOc3cnc(O[C@H]4CCN(C(=O)c5cn6ccsc6n5)C4)cc32)cc1C(F)(F)F.

What is the InChIKey of imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone?

The InChIKey is LFEGLYKIYGAIJZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H21F3N6O4S/c1-35-21-16(24(25,26)27)8-14(10-29-21)33-4-6-36-19-11-28-20(9-18(19)33)37-15-2-3-31(12-15)22(34)17-13-32-5-7-38-23(32)30-17/h5,7-11,13,15H,2-4,6,12H2,1H3/t15-/m0/s1.

What are the key properties of imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone?

imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone has a molecular weight of 546.53 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 86688486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).