3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide

C19H28N2O4SSi — CID 59127134

IUPAC3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)Oc1cc(O)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C19H28N2O4SSi/c1-13(12-24-27(5,6)19(2,3)4)25-16-10-14(9-15(22)11-16)17(23)21-18-20-7-8-26-18/h7-11,13,22H,12H2,1-6H3,(H,20,21,23)/t13-/m0/s1
InChIKeyMSCROAZQHJSGPI-ZDUSSCGKSA-N
MW408.60 g/mol
LogP4.89
Rot. Bonds7

About 3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide

3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 59127134) has the molecular formula C19H28N2O4SSi and a molecular weight of 408.60 g/mol. Its IUPAC name is 3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID59127134
Molecular FormulaC19H28N2O4SSi
Molecular Weight408.60 g/mol
Exact Mass408.15
IUPAC Name3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)Oc1cc(O)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C19H28N2O4SSi/c1-13(12-24-27(5,6)19(2,3)4)25-16-10-14(9-15(22)11-16)17(23)21-18-20-7-8-26-18/h7-11,13,22H,12H2,1-6H3,(H,20,21,23)/t13-/m0/s1
InChIKeyMSCROAZQHJSGPI-ZDUSSCGKSA-N
XLogP4.89
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.60
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 87250925
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
CID 87349177
3-(1-methoxypropan-2-yloxy)-5-[4-(4-methylpiperazine-1-carbonyl)phenoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 72992298
3-[2-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
CID 87349662
3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
CID 58133624
3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
CID 10362780
3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 88531682
[5-[[3-propan-2-yloxy-5-(1,3-thiazol-2-ylcarbamoyl)phenoxy]methyl]furan-2-yl]phosphonic acid
CID 58528876
4-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 762358
3-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 59736078
3-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
CID 73426769
3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide
CID 59346912

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide (CID 59127134) is 3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide is C[C@@H](CO[Si](C)(C)C(C)(C)C)Oc1cc(O)cc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is MSCROAZQHJSGPI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H28N2O4SSi/c1-13(12-24-27(5,6)19(2,3)4)25-16-10-14(9-15(22)11-16)17(23)21-18-20-7-8-26-18/h7-11,13,22H,12H2,1-6H3,(H,20,21,23)/t13-/m0/s1.
What are the key properties of 3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide?
3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 408.60 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 59127134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).