1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol

C19H29NO3SSi — CID 19101638

IUPAC1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCCC(O)(c1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1)c1nccs1
InChIInChI=1S/C19H29NO3SSi/c1-8-19(21,17-20-11-12-24-17)14-9-10-15(16(13-14)22-5)23-25(6,7)18(2,3)4/h9-13,21H,8H2,1-7H3
InChIKeyUNABZFXUIUDUHL-UHFFFAOYSA-N
MW379.60 g/mol
LogP5.18
Rot. Bonds6

About 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol

1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 19101638) has the molecular formula C19H29NO3SSi and a molecular weight of 379.60 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID19101638
Molecular FormulaC19H29NO3SSi
Molecular Weight379.60 g/mol
Exact Mass379.16
IUPAC Name1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCCC(O)(c1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1)c1nccs1
InChIInChI=1S/C19H29NO3SSi/c1-8-19(21,17-20-11-12-24-17)14-9-10-15(16(13-14)22-5)23-25(6,7)18(2,3)4/h9-13,21H,8H2,1-7H3
InChIKeyUNABZFXUIUDUHL-UHFFFAOYSA-N
XLogP5.18
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.60
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol (CID 19101638) is 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol is CCC(O)(c1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1)c1nccs1.
What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is UNABZFXUIUDUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3SSi/c1-8-19(21,17-20-11-12-24-17)14-9-10-15(16(13-14)22-5)23-25(6,7)18(2,3)4/h9-13,21H,8H2,1-7H3.
What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol?
1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 379.60 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 19101638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).