tert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate

C19H34ClN5O3SSi — CID 11005280

IUPACtert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)C(C)(C)[Si](C)(C)O[C@H](c1cnc(NC(=O)OC(C)(C)C)s1)[C@@H](Cl)CN=[N+]=[N-]
InChIInChI=1S/C19H34ClN5O3SSi/c1-12(2)19(6,7)30(8,9)28-15(13(20)10-23-25-21)14-11-22-16(29-14)24-17(26)27-18(3,4)5/h11-13,15H,10H2,1-9H3,(H,22,24,26)/t13-,15-/m0/s1
InChIKeyCLLBEERZHLUADL-ZFWWWQNUSA-N
MW476.12 g/mol
LogP7.11
Rot. Bonds9

About tert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 11005280) has the molecular formula C19H34ClN5O3SSi and a molecular weight of 476.12 g/mol. Its IUPAC name is tert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate
PubChem CID11005280
Molecular FormulaC19H34ClN5O3SSi
Molecular Weight476.12 g/mol
Exact Mass475.18
IUPAC Nametert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)C(C)(C)[Si](C)(C)O[C@H](c1cnc(NC(=O)OC(C)(C)C)s1)[C@@H](Cl)CN=[N+]=[N-]
InChIInChI=1S/C19H34ClN5O3SSi/c1-12(2)19(6,7)30(8,9)28-15(13(20)10-23-25-21)14-11-22-16(29-14)24-17(26)27-18(3,4)5/h11-13,15H,10H2,1-9H3,(H,22,24,26)/t13-,15-/m0/s1
InChIKeyCLLBEERZHLUADL-ZFWWWQNUSA-N
XLogP7.11
TPSA109.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.12
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[5-(3-bromo-1,2-dihydroxypropyl)-1,3-thiazol-2-yl]carbamate
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2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]propanedioic acid
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tert-butyl N-(5-carbonochloridoyl-1,3-thiazol-2-yl)carbamate
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ethyl 3,4-dihydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]butanoate
CID 171898336
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetate
CID 22349665
tert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate
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tert-butyl N-[5-[(2,4-difluorophenyl)-hydroxymethyl]-1,3-thiazol-2-yl]carbamate
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tert-butyl N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]carbamate
CID 118106608
tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]carbamate
CID 123156364
tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-(5-propyl-1,3-thiazol-2-yl)carbamate;5-propyl-1,3-thiazol-2-amine;hydrobromide
CID 157072375
3-ethoxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]-3-oxopropanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate (CID 11005280) is tert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate is CC(C)C(C)(C)[Si](C)(C)O[C@H](c1cnc(NC(=O)OC(C)(C)C)s1)[C@@H](Cl)CN=[N+]=[N-].
What is the InChIKey of tert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is CLLBEERZHLUADL-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H34ClN5O3SSi/c1-12(2)19(6,7)30(8,9)28-15(13(20)10-23-25-21)14-11-22-16(29-14)24-17(26)27-18(3,4)5/h11-13,15H,10H2,1-9H3,(H,22,24,26)/t13-,15-/m0/s1.
What are the key properties of tert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 476.12 g/mol, XLogP of 7.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 11005280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).