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

C15H26FNOSSi — CID 57192265

IUPACtert-butyl-[(3S)-2-fluoro-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)C(F)=Cc1csc(C)n1
InChIInChI=1S/C15H26FNOSSi/c1-8-14(18-20(6,7)15(3,4)5)13(16)9-12-10-19-11(2)17-12/h9-10,14H,8H2,1-7H3/t14-/m0/s1
InChIKeyNHQJRQPESHMGBW-AWEZNQCLSA-N
MW315.53 g/mol
LogP5.56
Rot. Bonds5

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

tert-butyl-[(3S)-2-fluoro-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane (PubChem CID 57192265) has the molecular formula C15H26FNOSSi and a molecular weight of 315.53 g/mol. Its IUPAC name is tert-butyl-[(3S)-2-fluoro-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-2-fluoro-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
PubChem CID57192265
Molecular FormulaC15H26FNOSSi
Molecular Weight315.53 g/mol
Exact Mass315.15
IUPAC Nametert-butyl-[(3S)-2-fluoro-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)C(F)=Cc1csc(C)n1
InChIInChI=1S/C15H26FNOSSi/c1-8-14(18-20(6,7)15(3,4)5)13(16)9-12-10-19-11(2)17-12/h9-10,14H,8H2,1-7H3/t14-/m0/s1
InChIKeyNHQJRQPESHMGBW-AWEZNQCLSA-N
XLogP5.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.53
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(-)-(3S,4E)-3-{[tert-Butyl(dimethyl)silyl]oxy}-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 10936330
(S,4E)-1,3-Di-(tert-butyldimethylsilyloxy)-4-methyl-5-(2-methylthiazol-4-yl)-pent-4-ene
CID 10993911
(s,2z,6e)-5-(Tert-butyldimethylsilyloxy)-2-iodo-6-methyl-7-(2-methylthiazol-4-yl)-hepta-2.6-diene
CID 11037924
(S,4E)-3-(tert-Butyldimethylsilyloxy)-4-methyl-5-(2-methyl-thiazol-4-yl)-pent-4-enal
CID 11045612
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enal
CID 57037222
ethyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate
CID 15460614
(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 15460615
tert-butyl-[(Z,3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
CID 15460616
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoate
CID 20822807
tert-butyl-[(E)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
CID 23001728
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 56988861
tert-butyl-[(3S)-2-fluoro-5-iodo-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane
CID 57095608

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-2-fluoro-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-2-fluoro-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane (CID 57192265) is tert-butyl-[(3S)-2-fluoro-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-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-2-fluoro-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane is CC[C@H](O[Si](C)(C)C(C)(C)C)C(F)=Cc1csc(C)n1.
What is the InChIKey of tert-butyl-[(3S)-2-fluoro-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is NHQJRQPESHMGBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26FNOSSi/c1-8-14(18-20(6,7)15(3,4)5)13(16)9-12-10-19-11(2)17-12/h9-10,14H,8H2,1-7H3/t14-/m0/s1.
What are the key properties of tert-butyl-[(3S)-2-fluoro-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-2-fluoro-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 315.53 g/mol, XLogP of 5.56, 5 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-1-(2-methyl-1,3-thiazol-4-yl)pent-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 57192265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).