[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone

C24H34N4O2SSi — CID 178181436

IUPAC[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone
SMILESCc1ccc(C)n1-c1nc2ncc(C(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2s1
InChIInChI=1S/C24H34N4O2SSi/c1-16-8-9-17(2)28(16)23-26-21-20(31-23)14-18(15-25-21)22(29)27-12-10-19(11-13-27)30-32(6,7)24(3,4)5/h8-9,14-15,19H,10-13H2,1-7H3
InChIKeyULIHOYJIMNVYTJ-UHFFFAOYSA-N
MW470.72 g/mol
LogP5.73
Rot. Bonds4

About [4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone

[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone (PubChem CID 178181436) has the molecular formula C24H34N4O2SSi and a molecular weight of 470.72 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone
PubChem CID178181436
Molecular FormulaC24H34N4O2SSi
Molecular Weight470.72 g/mol
Exact Mass470.22
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone
SMILESCc1ccc(C)n1-c1nc2ncc(C(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2s1
InChIInChI=1S/C24H34N4O2SSi/c1-16-8-9-17(2)28(16)23-26-21-20(31-23)14-18(15-25-21)22(29)27-12-10-19(11-13-27)30-32(6,7)24(3,4)5/h8-9,14-15,19H,10-13H2,1-7H3
InChIKeyULIHOYJIMNVYTJ-UHFFFAOYSA-N
XLogP5.73
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.72
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone with MolForge

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Related Compounds

2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
CID 138688291
ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 138688419
5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid
CID 169081409
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
N-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-5-methyl-1H-pyrrole-3-carboxamide
CID 166280109
(4-tert-butylphenyl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160794
tert-butyl-dimethyl-[1-(2-morpholin-4-yl-1,3-thiazol-5-yl)piperidin-4-yl]oxysilane
CID 151363153
1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid
CID 155895758
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 98216728
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372645
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone (CID 178181436) is [4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone is Cc1ccc(C)n1-c1nc2ncc(C(=O)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2s1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone?
The InChIKey is ULIHOYJIMNVYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2SSi/c1-16-8-9-17(2)28(16)23-26-21-20(31-23)14-18(15-25-21)22(29)27-12-10-19(11-13-27)30-32(6,7)24(3,4)5/h8-9,14-15,19H,10-13H2,1-7H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone?
[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone has a molecular weight of 470.72 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone is sourced from PubChem (CID 178181436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).