(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-1-oxopropan-2-yl]-1-triethylsilylazetidin-2-one

C26H45N3O3S2Si2 — CID 139940094

About (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-1-oxopropan-2-yl]-1-triethylsilylazetidin-2-one

(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-1-oxopropan-2-yl]-1-triethylsilylazetidin-2-one (PubChem CID 139940094) has the molecular formula C26H45N3O3S2Si2 and a molecular weight of 567.97 g/mol. Its IUPAC name is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-1-oxopropan-2-yl]-1-triethylsilylazetidin-2-one.

Molecular Properties

• Compound Name: (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-1-oxopropan-2-yl]-1-triethylsilylazetidin-2-one
• PubChem CID: 139940094
• Molecular Formula: C26H45N3O3S2Si2
• Molecular Weight: 567.97 g/mol
• Exact Mass: 567.24
• IUPAC Name: (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-1-oxopropan-2-yl]-1-triethylsilylazetidin-2-one
• SMILES: CC[Si](CC)(CC)N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](C)C(=O)c1cn2cnc(SC)c2s1
• InChI: InChI=1S/C26H45N3O3S2Si2/c1-12-36(13-2,14-3)29-21(20(24(29)31)18(5)32-35(10,11)26(6,7)8)17(4)22(30)19-15-28-16-27-23(33-9)25(28)34-19/h15-18,20-21H,12-14H2,1-11H3/t17-,18-,20-,21-/m1/s1
• InChIKey: XSXSRWCMTNPPQS-VURPSTOHSA-N
• XLogP: 7.18
• TPSA: 63.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.97
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-1-oxopropan-2-yl]-1-triethylsilylazetidin-2-one?

The IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-1-oxopropan-2-yl]-1-triethylsilylazetidin-2-one (CID 139940094) is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-1-oxopropan-2-yl]-1-triethylsilylazetidin-2-one.

What is the SMILES notation for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-1-oxopropan-2-yl]-1-triethylsilylazetidin-2-one?

The canonical SMILES for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-1-oxopropan-2-yl]-1-triethylsilylazetidin-2-one is CC[Si](CC)(CC)N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](C)C(=O)c1cn2cnc(SC)c2s1.

What is the InChIKey of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-1-oxopropan-2-yl]-1-triethylsilylazetidin-2-one?

The InChIKey is XSXSRWCMTNPPQS-VURPSTOHSA-N. The full InChI is InChI=1S/C26H45N3O3S2Si2/c1-12-36(13-2,14-3)29-21(20(24(29)31)18(5)32-35(10,11)26(6,7)8)17(4)22(30)19-15-28-16-27-23(33-9)25(28)34-19/h15-18,20-21H,12-14H2,1-11H3/t17-,18-,20-,21-/m1/s1.

What are the key properties of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-1-oxopropan-2-yl]-1-triethylsilylazetidin-2-one?

(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-1-oxopropan-2-yl]-1-triethylsilylazetidin-2-one has a molecular weight of 567.97 g/mol, XLogP of 7.18, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-1-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-1-oxopropan-2-yl]-1-triethylsilylazetidin-2-one is sourced from PubChem (CID 139940094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).