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

C19H28N2O4SSi — CID 87250925

IUPAC2-[(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)Oc1ccc(O)cc1C(=O)Nc1nccs1
InChIInChI=1S/C19H28N2O4SSi/c1-13(12-24-27(5,6)19(2,3)4)25-16-8-7-14(22)11-15(16)17(23)21-18-20-9-10-26-18/h7-11,13,22H,12H2,1-6H3,(H,20,21,23)/t13-/m0/s1
InChIKeyXGQGAKLNPBYJBV-ZDUSSCGKSA-N
MW408.60 g/mol
LogP4.89
Rot. Bonds7

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

2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 87250925) has the molecular formula C19H28N2O4SSi and a molecular weight of 408.60 g/mol. Its IUPAC name is 2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID87250925
Molecular FormulaC19H28N2O4SSi
Molecular Weight408.60 g/mol
Exact Mass408.15
IUPAC Name2-[(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)Oc1ccc(O)cc1C(=O)Nc1nccs1
InChIInChI=1S/C19H28N2O4SSi/c1-13(12-24-27(5,6)19(2,3)4)25-16-8-7-14(22)11-15(16)17(23)21-18-20-9-10-26-18/h7-11,13,22H,12H2,1-6H3,(H,20,21,23)/t13-/m0/s1
InChIKeyXGQGAKLNPBYJBV-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

3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 59127134
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
5-bromo-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 15943059
2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide
CID 17045791
2-hydroxy-4,5-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 141049066
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17358961
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631681
tert-butyl N-[(2S)-4-[3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-2-pyridinyl]but-3-yn-2-yl]carbamate
CID 71068168
3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 143922390
2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295168

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide (CID 87250925) is 2-[(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 2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[(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)Oc1ccc(O)cc1C(=O)Nc1nccs1.
What is the InChIKey of 2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is XGQGAKLNPBYJBV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H28N2O4SSi/c1-13(12-24-27(5,6)19(2,3)4)25-16-8-7-14(22)11-15(16)17(23)21-18-20-9-10-26-18/h7-11,13,22H,12H2,1-6H3,(H,20,21,23)/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide?
2-[(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 2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 87250925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).