[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

C24H34N2O3SSi — CID 142536059

IUPAC[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2C3CC(C3)C(O)C2CO[Si](C)(C)C(C)(C)C)c(-c2ccccc2)s1
InChIInChI=1S/C24H34N2O3SSi/c1-15-25-20(22(30-15)16-10-8-7-9-11-16)23(28)26-18-12-17(13-18)21(27)19(26)14-29-31(5,6)24(2,3)4/h7-11,17-19,21,27H,12-14H2,1-6H3
InChIKeyFQGFYFCASWBDQF-UHFFFAOYSA-N
MW458.70 g/mol
LogP5.10
Rot. Bonds5

About [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 142536059) has the molecular formula C24H34N2O3SSi and a molecular weight of 458.70 g/mol. Its IUPAC name is [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID142536059
Molecular FormulaC24H34N2O3SSi
Molecular Weight458.70 g/mol
Exact Mass458.21
IUPAC Name[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2C3CC(C3)C(O)C2CO[Si](C)(C)C(C)(C)C)c(-c2ccccc2)s1
InChIInChI=1S/C24H34N2O3SSi/c1-15-25-20(22(30-15)16-10-8-7-9-11-16)23(28)26-18-12-17(13-18)21(27)19(26)14-29-31(5,6)24(2,3)4/h7-11,17-19,21,27H,12-14H2,1-6H3
InChIKeyFQGFYFCASWBDQF-UHFFFAOYSA-N
XLogP5.10
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.70
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

(2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110648662
[2-[[1,3-benzoxazol-2-yl(methyl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 25126924
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 131737123
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
tert-butyl-[[(2S,3R)-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)-3-(trifluoromethyl)piperidin-2-yl]methyl]carbamic acid
CID 141375809
[(1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 68632496
[(1S,2R,5S)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 68650121
[(5S)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 68650119
2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxypyrrolidine-1-carboxylic acid
CID 123486303
N-[[(1R,3S,4S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 67286656
tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate
CID 67018260
(2S,3aS,6aS)-1-[5-(4-bromophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 68569244

Frequently Asked Questions

What is the IUPAC name of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (CID 142536059) is [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2C3CC(C3)C(O)C2CO[Si](C)(C)C(C)(C)C)c(-c2ccccc2)s1.
What is the InChIKey of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is FQGFYFCASWBDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3SSi/c1-15-25-20(22(30-15)16-10-8-7-9-11-16)23(28)26-18-12-17(13-18)21(27)19(26)14-29-31(5,6)24(2,3)4/h7-11,17-19,21,27H,12-14H2,1-6H3.
What are the key properties of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 458.70 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2-azabicyclo[3.1.1]heptan-2-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 142536059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).