1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol

C17H22FNOS2Si — CID 19426942

IUPAC1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol
SMILESC=CC(O)(c1cc(F)cc(SCC[Si](C)(C)C)c1)c1nccs1
InChIInChI=1S/C17H22FNOS2Si/c1-5-17(20,16-19-6-7-22-16)13-10-14(18)12-15(11-13)21-8-9-23(2,3)4/h5-7,10-12,20H,1,8-9H2,2-4H3
InChIKeyZAVAOORGUJJYQR-UHFFFAOYSA-N
MW367.59 g/mol
LogP5.13
Rot. Bonds7

About 1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol

1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol (PubChem CID 19426942) has the molecular formula C17H22FNOS2Si and a molecular weight of 367.59 g/mol. Its IUPAC name is 1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol
PubChem CID19426942
Molecular FormulaC17H22FNOS2Si
Molecular Weight367.59 g/mol
Exact Mass367.09
IUPAC Name1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol
SMILESC=CC(O)(c1cc(F)cc(SCC[Si](C)(C)C)c1)c1nccs1
InChIInChI=1S/C17H22FNOS2Si/c1-5-17(20,16-19-6-7-22-16)13-10-14(18)12-15(11-13)21-8-9-23(2,3)4/h5-7,10-12,20H,1,8-9H2,2-4H3
InChIKeyZAVAOORGUJJYQR-UHFFFAOYSA-N
XLogP5.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.59
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 605604
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CID 46739067
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CID 71306496
CID 71306496
CID 13032473
CID 13032473
CID 146994174
CID 146994174
CID 19426955
CID 19426955
CID 19426959
CID 19426959
CID 19426962
CID 19426962
CID 19426986
CID 19426986
CID 19426991
CID 19426991
CID 19426992
CID 19426992
CID 23114721
CID 23114721

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol?
The IUPAC name of 1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol (CID 19426942) is 1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol?
The canonical SMILES for 1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol is C=CC(O)(c1cc(F)cc(SCC[Si](C)(C)C)c1)c1nccs1.
What is the InChIKey of 1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol?
The InChIKey is ZAVAOORGUJJYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNOS2Si/c1-5-17(20,16-19-6-7-22-16)13-10-14(18)12-15(11-13)21-8-9-23(2,3)4/h5-7,10-12,20H,1,8-9H2,2-4H3.
What are the key properties of 1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol?
1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol has a molecular weight of 367.59 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 19426942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).