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

C16H27FINOSSi — CID 141026257

IUPAC2,2-dimethylpropyl-[(Z,3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
SMILESCc1nc(/C=C(\F)[C@H](CCI)O[Si](C)(C)CC(C)(C)C)cs1
InChIInChI=1S/C16H27FINOSSi/c1-12-19-13(10-21-12)9-14(17)15(7-8-18)20-22(5,6)11-16(2,3)4/h9-10,15H,7-8,11H2,1-6H3/b14-9-/t15-/m0/s1
InChIKeyAIMJPNROYGJNSC-MZLJFPOFSA-N
MW455.45 g/mol
LogP6.22
Rot. Bonds7

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

2,2-dimethylpropyl-[(Z,3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane (PubChem CID 141026257) has the molecular formula C16H27FINOSSi and a molecular weight of 455.45 g/mol. Its IUPAC name is 2,2-dimethylpropyl-[(Z,3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Name2,2-dimethylpropyl-[(Z,3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
PubChem CID141026257
Molecular FormulaC16H27FINOSSi
Molecular Weight455.45 g/mol
Exact Mass455.06
IUPAC Name2,2-dimethylpropyl-[(Z,3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
SMILESCc1nc(/C=C(\F)[C@H](CCI)O[Si](C)(C)CC(C)(C)C)cs1
InChIInChI=1S/C16H27FINOSSi/c1-12-19-13(10-21-12)9-14(17)15(7-8-18)20-22(5,6)11-16(2,3)4/h9-10,15H,7-8,11H2,1-6H3/b14-9-/t15-/m0/s1
InChIKeyAIMJPNROYGJNSC-MZLJFPOFSA-N
XLogP6.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.45
LogP ≤ 56.22
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 2,2-dimethylpropyl-[(Z,3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of 2,2-dimethylpropyl-[(Z,3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane (CID 141026257) is 2,2-dimethylpropyl-[(Z,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 2,2-dimethylpropyl-[(Z,3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for 2,2-dimethylpropyl-[(Z,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)CC(C)(C)C)cs1.
What is the InChIKey of 2,2-dimethylpropyl-[(Z,3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is AIMJPNROYGJNSC-MZLJFPOFSA-N. The full InChI is InChI=1S/C16H27FINOSSi/c1-12-19-13(10-21-12)9-14(17)15(7-8-18)20-22(5,6)11-16(2,3)4/h9-10,15H,7-8,11H2,1-6H3/b14-9-/t15-/m0/s1.
What are the key properties of 2,2-dimethylpropyl-[(Z,3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?
2,2-dimethylpropyl-[(Z,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 455.45 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl-[(Z,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 141026257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).