hydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane

C16H23NO2SSi — CID 90071558

IUPAChydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane
SMILESCC(C)(Cc1cccc(OCc2cncs2)c1)[Si](C)(C)O
InChIInChI=1S/C16H23NO2SSi/c1-16(2,21(3,4)18)9-13-6-5-7-14(8-13)19-11-15-10-17-12-20-15/h5-8,10,12,18H,9,11H2,1-4H3
InChIKeyJJKDYSGUVPESMZ-UHFFFAOYSA-N
MW321.52 g/mol
LogP4.24
Rot. Bonds6

About hydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane

hydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane (PubChem CID 90071558) has the molecular formula C16H23NO2SSi and a molecular weight of 321.52 g/mol. Its IUPAC name is hydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane.

Molecular Properties

Compound Namehydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane
PubChem CID90071558
Molecular FormulaC16H23NO2SSi
Molecular Weight321.52 g/mol
Exact Mass321.12
IUPAC Namehydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane
SMILESCC(C)(Cc1cccc(OCc2cncs2)c1)[Si](C)(C)O
InChIInChI=1S/C16H23NO2SSi/c1-16(2,21(3,4)18)9-13-6-5-7-14(8-13)19-11-15-10-17-12-20-15/h5-8,10,12,18H,9,11H2,1-4H3
InChIKeyJJKDYSGUVPESMZ-UHFFFAOYSA-N
XLogP4.24
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640166
5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
CID 112640679
[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane
CID 58430075
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenol
CID 63020479
5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole
CID 112641170
5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774113
2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 102724377
2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile
CID 102724111
2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640713
2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112640397
[4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640347
[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol
CID 112641042

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane?
The IUPAC name of hydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane (CID 90071558) is hydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane.
What is the SMILES notation for hydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane?
The canonical SMILES for hydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane is CC(C)(Cc1cccc(OCc2cncs2)c1)[Si](C)(C)O.
What is the InChIKey of hydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane?
The InChIKey is JJKDYSGUVPESMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2SSi/c1-16(2,21(3,4)18)9-13-6-5-7-14(8-13)19-11-15-10-17-12-20-15/h5-8,10,12,18H,9,11H2,1-4H3.
What are the key properties of hydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane?
hydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane has a molecular weight of 321.52 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[2-methyl-1-[3-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-yl]silane is sourced from PubChem (CID 90071558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).