tert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C24H37N3O5S2Si — CID 122226865

IUPACtert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](c2nc(C(=O)Cc3nc(O[Si](C)(C)C(C)(C)C)cs3)cs2)COC1(C)C
InChIInChI=1S/C24H37N3O5S2Si/c1-22(2,3)31-21(29)27-16(12-30-24(27,7)8)20-25-15(13-34-20)17(28)11-19-26-18(14-33-19)32-35(9,10)23(4,5)6/h13-14,16H,11-12H2,1-10H3/t16-/m0/s1
InChIKeyBVLBUIRTLRDEEW-INIZCTEOSA-N
MW539.80 g/mol
LogP6.45
Rot. Bonds6

About tert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 122226865) has the molecular formula C24H37N3O5S2Si and a molecular weight of 539.80 g/mol. Its IUPAC name is tert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID122226865
Molecular FormulaC24H37N3O5S2Si
Molecular Weight539.80 g/mol
Exact Mass539.19
IUPAC Nametert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](c2nc(C(=O)Cc3nc(O[Si](C)(C)C(C)(C)C)cs3)cs2)COC1(C)C
InChIInChI=1S/C24H37N3O5S2Si/c1-22(2,3)31-21(29)27-16(12-30-24(27,7)8)20-25-15(13-34-20)17(28)11-19-26-18(14-33-19)32-35(9,10)23(4,5)6/h13-14,16H,11-12H2,1-10H3/t16-/m0/s1
InChIKeyBVLBUIRTLRDEEW-INIZCTEOSA-N
XLogP6.45
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.80
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

(4S,5R)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-5-methyl-1,3-oxazolidin-2-one
CID 10551651
tert-butyl (4S)-4-[4-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 135072431

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 122226865) is tert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](c2nc(C(=O)Cc3nc(O[Si](C)(C)C(C)(C)C)cs3)cs2)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is BVLBUIRTLRDEEW-INIZCTEOSA-N. The full InChI is InChI=1S/C24H37N3O5S2Si/c1-22(2,3)31-21(29)27-16(12-30-24(27,7)8)20-25-15(13-34-20)17(28)11-19-26-18(14-33-19)32-35(9,10)23(4,5)6/h13-14,16H,11-12H2,1-10H3/t16-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 539.80 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 122226865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).