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

C17H23NO3SSi — CID 19101651

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2nc(O[Si](C)(C)C(C)(C)C)cs2)c1
InChIInChI=1S/C17H23NO3SSi/c1-17(2,3)23(5,6)21-14-11-22-16(18-14)15(19)12-8-7-9-13(10-12)20-4/h7-11H,1-6H3
InChIKeyJECMZSOWDNGNNZ-UHFFFAOYSA-N
MW349.53 g/mol
LogP4.77
Rot. Bonds5

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

[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanone (PubChem CID 19101651) has the molecular formula C17H23NO3SSi and a molecular weight of 349.53 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanone
PubChem CID19101651
Molecular FormulaC17H23NO3SSi
Molecular Weight349.53 g/mol
Exact Mass349.12
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2nc(O[Si](C)(C)C(C)(C)C)cs2)c1
InChIInChI=1S/C17H23NO3SSi/c1-17(2,3)23(5,6)21-14-11-22-16(18-14)15(19)12-8-7-9-13(10-12)20-4/h7-11H,1-6H3
InChIKeyJECMZSOWDNGNNZ-UHFFFAOYSA-N
XLogP4.77
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.53
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone
CID 10950821
tert-butyl-[1-(3-methoxyphenyl)prop-1-enoxy]-dimethylsilane
CID 67470985
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
(3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone
CID 114962447
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
CID 116581079
(2,5-dibromothiophen-3-yl)-(3-methoxyphenyl)methanone
CID 43344972
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanone (CID 19101651) is [4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2nc(O[Si](C)(C)C(C)(C)C)cs2)c1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanone?
The InChIKey is JECMZSOWDNGNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3SSi/c1-17(2,3)23(5,6)21-14-11-22-16(18-14)15(19)12-8-7-9-13(10-12)20-4/h7-11H,1-6H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanone?
[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanone has a molecular weight of 349.53 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 19101651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).