prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate

C21H33N3O4S2Si — CID 173281048

IUPACprop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C(O[SiH](C)C)[C@@H](C(C)(C)C)C[C@H]1C(O)c1cn2c(SC)ncc2s1
InChIInChI=1S/C21H33N3O4S2Si/c1-8-9-27-20(26)24-14(10-13(21(2,3)4)18(24)28-31(6)7)17(25)15-12-23-16(30-15)11-22-19(23)29-5/h8,11-14,17-18,25,31H,1,9-10H2,2-7H3/t13-,14-,17?,18?/m0/s1
InChIKeyASRXSZYONOQNJR-DIOPXHOYSA-N
MW483.73 g/mol
LogP4.54
Rot. Bonds7

About prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate

prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate (PubChem CID 173281048) has the molecular formula C21H33N3O4S2Si and a molecular weight of 483.73 g/mol. Its IUPAC name is prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
PubChem CID173281048
Molecular FormulaC21H33N3O4S2Si
Molecular Weight483.73 g/mol
Exact Mass483.17
IUPAC Nameprop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C(O[SiH](C)C)[C@@H](C(C)(C)C)C[C@H]1C(O)c1cn2c(SC)ncc2s1
InChIInChI=1S/C21H33N3O4S2Si/c1-8-9-27-20(26)24-14(10-13(21(2,3)4)18(24)28-31(6)7)17(25)15-12-23-16(30-15)11-22-19(23)29-5/h8,11-14,17-18,25,31H,1,9-10H2,2-7H3/t13-,14-,17?,18?/m0/s1
InChIKeyASRXSZYONOQNJR-DIOPXHOYSA-N
XLogP4.54
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.73
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate (CID 173281048) is prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate is C=CCOC(=O)N1C(O[SiH](C)C)[C@@H](C(C)(C)C)C[C@H]1C(O)c1cn2c(SC)ncc2s1.
What is the InChIKey of prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is ASRXSZYONOQNJR-DIOPXHOYSA-N. The full InChI is InChI=1S/C21H33N3O4S2Si/c1-8-9-27-20(26)24-14(10-13(21(2,3)4)18(24)28-31(6)7)17(25)15-12-23-16(30-15)11-22-19(23)29-5/h8,11-14,17-18,25,31H,1,9-10H2,2-7H3/t13-,14-,17?,18?/m0/s1.
What are the key properties of prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate?
prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 483.73 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 173281048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).