tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane

C15H25FINOSSi — CID 57095608

About tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane (PubChem CID 57095608) has the molecular formula C15H25FINOSSi and a molecular weight of 441.43 g/mol. Its IUPAC name is tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
• PubChem CID: 57095608
• Molecular Formula: C15H25FINOSSi
• Molecular Weight: 441.43 g/mol
• Exact Mass: 441.05
• IUPAC Name: tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
• SMILES: Cc1nc(C=C(F)[C@H](CCI)O[Si](C)(C)C(C)(C)C)cs1
• InChI: InChI=1S/C15H25FINOSSi/c1-11-18-12(10-20-11)9-13(16)14(7-8-17)19-21(5,6)15(2,3)4/h9-10,14H,7-8H2,1-6H3/t14-/m0/s1
• InChIKey: RXJNGNPHMDNUJA-AWEZNQCLSA-N
• XLogP: 5.98
• TPSA: 22.12 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.43
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane (CID 57095608) is tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane is Cc1nc(C=C(F)[C@H](CCI)O[Si](C)(C)C(C)(C)C)cs1.

What is the InChIKey of tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?

The InChIKey is RXJNGNPHMDNUJA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25FINOSSi/c1-11-18-12(10-20-11)9-13(16)14(7-8-17)19-21(5,6)15(2,3)4/h9-10,14H,7-8H2,1-6H3/t14-/m0/s1.

What are the key properties of tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?

tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 441.43 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 57095608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).