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

C20H31N3O4SSi — CID 173280935

IUPACprop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy(imidazo[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)c1cn2cncc2s1
InChIInChI=1S/C20H31N3O4SSi/c1-7-8-26-19(25)23-14(9-13(20(2,3)4)18(23)27-29(5)6)17(24)15-11-22-12-21-10-16(22)28-15/h7,10-14,17-18,24,29H,1,8-9H2,2-6H3/t13-,14-,17?,18?/m0/s1
InChIKeySFTFHFSXEIKMTD-DIOPXHOYSA-N
MW437.64 g/mol
LogP3.81
Rot. Bonds6

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

prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy(imidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate (PubChem CID 173280935) has the molecular formula C20H31N3O4SSi and a molecular weight of 437.64 g/mol. Its IUPAC name is prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy(imidazo[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(imidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
PubChem CID173280935
Molecular FormulaC20H31N3O4SSi
Molecular Weight437.64 g/mol
Exact Mass437.18
IUPAC Nameprop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy(imidazo[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)c1cn2cncc2s1
InChIInChI=1S/C20H31N3O4SSi/c1-7-8-26-19(25)23-14(9-13(20(2,3)4)18(23)27-29(5)6)17(24)15-11-22-12-21-10-16(22)28-15/h7,10-14,17-18,24,29H,1,8-9H2,2-6H3/t13-,14-,17?,18?/m0/s1
InChIKeySFTFHFSXEIKMTD-DIOPXHOYSA-N
XLogP3.81
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.64
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy-(5-methylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 173280933
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
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-(3-methylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 20639573
prop-2-enyl (2S,4R)-2-[hydroxy(imidazo[5,1-b][1,3]thiazol-3-yl)methyl]-4-methylsulfonylpyrrolidine-1-carboxylate
CID 142637324
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[ethanethioyloxy(imidazo[5,1-b][1,3]thiazol-3-yl)methyl]pyrrolidine-1-carboxylate
CID 20639565
prop-2-enyl 2-acetylsulfanyl-5-[(3-methylimidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 140992281
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[5,1-b][1,3]thiazol-3-ylmethyl)pyrrolidine-1-carboxylate
CID 20639566
prop-2-enyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxylate
CID 173325459
prop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate
CID 70109437
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate
CID 67752257
prop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate
CID 173171481
prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 67752118

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy(imidazo[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(imidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate (CID 173280935) is prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy(imidazo[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(imidazo[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(imidazo[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)c1cn2cncc2s1.
What is the InChIKey of prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy(imidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is SFTFHFSXEIKMTD-DIOPXHOYSA-N. The full InChI is InChI=1S/C20H31N3O4SSi/c1-7-8-26-19(25)23-14(9-13(20(2,3)4)18(23)27-29(5)6)17(24)15-11-22-12-21-10-16(22)28-15/h7,10-14,17-18,24,29H,1,8-9H2,2-6H3/t13-,14-,17?,18?/m0/s1.
What are the key properties of prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy(imidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate?
prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy(imidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 437.64 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (3R,5S)-3-tert-butyl-2-dimethylsilyloxy-5-[hydroxy(imidazo[5,1-b][1,3]thiazol-2-yl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 173280935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).