[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

C28H35N3O2SSi — CID 22243029

IUPAC[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCC(C)(C)[Si](OC1CN(c2nc(C(=O)N3CCCCC3)cs2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35N3O2SSi/c1-28(2,3)35(23-13-7-4-8-14-23,24-15-9-5-10-16-24)33-22-19-31(20-22)27-29-25(21-34-27)26(32)30-17-11-6-12-18-30/h4-5,7-10,13-16,21-22H,6,11-12,17-20H2,1-3H3
InChIKeyNTRGTBNYXNHYLQ-UHFFFAOYSA-N
MW505.76 g/mol
LogP4.53
Rot. Bonds6

About [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 22243029) has the molecular formula C28H35N3O2SSi and a molecular weight of 505.76 g/mol. Its IUPAC name is [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
PubChem CID22243029
Molecular FormulaC28H35N3O2SSi
Molecular Weight505.76 g/mol
Exact Mass505.22
IUPAC Name[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCC(C)(C)[Si](OC1CN(c2nc(C(=O)N3CCCCC3)cs2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35N3O2SSi/c1-28(2,3)35(23-13-7-4-8-14-23,24-15-9-5-10-16-24)33-22-19-31(20-22)27-29-25(21-34-27)26(32)30-17-11-6-12-18-30/h4-5,7-10,13-16,21-22H,6,11-12,17-20H2,1-3H3
InChIKeyNTRGTBNYXNHYLQ-UHFFFAOYSA-N
XLogP4.53
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.76
LogP ≤ 54.53
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

S-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethylcarbamoyl]-1,3-thiazol-2-yl]azetidin-3-yl] ethanethioate
CID 17858130
3-t-Butyldiphenylsilyloxy-1-(4-succinimidomethyl-1,3-thiazol-2-yl)azetidine
CID 22242718
2-[3-[Tert-butyl(diphenyl)silyl]oxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 22242729
N-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 22242731
3-t-butyldiphenylsilyloxy-1-[4-(N-carbamoylmethyl-N-isopropyl-carbamoyl)-1,3-thiazol-2-yl]azetidine
CID 22242735
3-t-Butyldiphenylsilyloxy-1-(4-morpholinocarbonyl-1,3-thiazol-2-yl)azetidine
CID 22242740
3-t-Butyldiphenylsilyloxy-1-[4-(3-methoxyazetidine-1-carbonyl)-1,3-thiazol-2-yl]azetidine
CID 22242760
3-t-Butyldiphenylsilyloxy-1-(4-thiomorpholinocarbonyl-1,3-thiazol-2-yl)azetidine
CID 22242814
3-t-Butyldiphenylsilyloxy-1-[4-(thiophene-2-carbonylamino)methyl-1,3-thiazol-2-yl]azetidine
CID 22242818
3-t-Butyldiphenylsilyloxy-1-[4-(methoxycarbonylaminomethyl)-1,3-thiazol-2-yl]azetidine
CID 22242856
3-t-butyldiphenylsilyloxy-1-{4-[N-methyl-N-(2-hydroxyethyl)carbamoyl]-1,3-thiazol-2-yl}azetidine
CID 22242874
3-t-Butyldiphenylsilyloxy-1-(4-carbamoyl-1,3-thiazol-2-yl)azetidine
CID 22242938

Frequently Asked Questions

What is the IUPAC name of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (CID 22243029) is [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is CC(C)(C)[Si](OC1CN(c2nc(C(=O)N3CCCCC3)cs2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is NTRGTBNYXNHYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2SSi/c1-28(2,3)35(23-13-7-4-8-14-23,24-15-9-5-10-16-24)33-22-19-31(20-22)27-29-25(21-34-27)26(32)30-17-11-6-12-18-30/h4-5,7-10,13-16,21-22H,6,11-12,17-20H2,1-3H3.
What are the key properties of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 505.76 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 22243029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).