[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone

C26H24FN5OS — CID 155735371

About [6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone

[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 155735371) has the molecular formula C26H24FN5OS and a molecular weight of 473.58 g/mol. Its IUPAC name is [6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 155735371
• Molecular Formula: C26H24FN5OS
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.17
• IUPAC Name: [6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone
• SMILES: C=C/C=C(\C=C)c1ccn(C[C@@H]2CCCN2C(=O)c2c(-c3ccccc3F)nc3sccn23)n1
• InChI: InChI=1S/C26H24FN5OS/c1-3-8-18(4-2)22-12-14-30(29-22)17-19-9-7-13-31(19)25(33)24-23(20-10-5-6-11-21(20)27)28-26-32(24)15-16-34-26/h3-6,8,10-12,14-16,19H,1-2,7,9,13,17H2/b18-8+/t19-/m0/s1
• InChIKey: MHTGOWRUHIUVSM-UUVGHFPGSA-N
• XLogP: 5.46
• TPSA: 55.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of [6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone (CID 155735371) is [6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for [6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for [6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone is C=C/C=C(\C=C)c1ccn(C[C@@H]2CCCN2C(=O)c2c(-c3ccccc3F)nc3sccn23)n1.

What is the InChIKey of [6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

The InChIKey is MHTGOWRUHIUVSM-UUVGHFPGSA-N. The full InChI is InChI=1S/C26H24FN5OS/c1-3-8-18(4-2)22-12-14-30(29-22)17-19-9-7-13-31(19)25(33)24-23(20-10-5-6-11-21(20)27)28-26-32(24)15-16-34-26/h3-6,8,10-12,14-16,19H,1-2,7,9,13,17H2/b18-8+/t19-/m0/s1.

What are the key properties of [6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 473.58 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 155735371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).