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

C15H25FINOSSi — CID 23001728

IUPACtert-butyl-[(E)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
SMILESCc1nc(/C=C(/F)C(CCI)O[Si](C)(C)C(C)(C)C)cs1
InChIInChI=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/b13-9+
InChIKeyRXJNGNPHMDNUJA-UKTHLTGXSA-N
MW441.43 g/mol
LogP5.98
Rot. Bonds6

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

tert-butyl-[(E)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane (PubChem CID 23001728) has the molecular formula C15H25FINOSSi and a molecular weight of 441.43 g/mol. Its IUPAC name is tert-butyl-[(E)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
PubChem CID23001728
Molecular FormulaC15H25FINOSSi
Molecular Weight441.43 g/mol
Exact Mass441.05
IUPAC Nametert-butyl-[(E)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
SMILESCc1nc(/C=C(/F)C(CCI)O[Si](C)(C)C(C)(C)C)cs1
InChIInChI=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/b13-9+
InChIKeyRXJNGNPHMDNUJA-UKTHLTGXSA-N
XLogP5.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.43
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-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-[(E)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane (CID 23001728) is tert-butyl-[(E)-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-[(E)-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-[(E)-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(CCI)O[Si](C)(C)C(C)(C)C)cs1.
What is the InChIKey of tert-butyl-[(E)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is RXJNGNPHMDNUJA-UKTHLTGXSA-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/b13-9+.
What are the key properties of tert-butyl-[(E)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E)-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-[(E)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 23001728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).