tert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate

C16H22BrN3O3S — CID 165141460

IUPACtert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)c1nc(Br)cs1
InChIInChI=1S/C16H22BrN3O3S/c1-16(2,3)23-15(22)18-9-6-10-4-5-11(7-9)20(10)14(21)13-19-12(17)8-24-13/h8-11H,4-7H2,1-3H3,(H,18,22)
InChIKeyWTXFZCWYAUINMS-UHFFFAOYSA-N
MW416.34 g/mol
LogP3.57
Rot. Bonds2

About tert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate

tert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate (PubChem CID 165141460) has the molecular formula C16H22BrN3O3S and a molecular weight of 416.34 g/mol. Its IUPAC name is tert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
PubChem CID165141460
Molecular FormulaC16H22BrN3O3S
Molecular Weight416.34 g/mol
Exact Mass415.06
IUPAC Nametert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)c1nc(Br)cs1
InChIInChI=1S/C16H22BrN3O3S/c1-16(2,3)23-15(22)18-9-6-10-4-5-11(7-9)20(10)14(21)13-19-12(17)8-24-13/h8-11H,4-7H2,1-3H3,(H,18,22)
InChIKeyWTXFZCWYAUINMS-UHFFFAOYSA-N
XLogP3.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[8-(3-bromo-4-chlorobenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 135339471
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tert-butyl N-[(1S,5S)-9-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate
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tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 167388554
tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
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tert-butyl N-[8-[2-amino-3-(4-bromophenyl)-3,3-difluoropropanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate
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tert-butyl N-[4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)cyclohexyl]carbamate
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tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate
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tert-butyl N-[(2S,3aR,7aS)-6-oxo-1,2,3,3a,4,5,7,7a-octahydroinden-2-yl]carbamate
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tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate (CID 165141460) is tert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate is CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)c1nc(Br)cs1.
What is the InChIKey of tert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
The InChIKey is WTXFZCWYAUINMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O3S/c1-16(2,3)23-15(22)18-9-6-10-4-5-11(7-9)20(10)14(21)13-19-12(17)8-24-13/h8-11H,4-7H2,1-3H3,(H,18,22).
What are the key properties of tert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
tert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate has a molecular weight of 416.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[8-(4-bromo-1,3-thiazole-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate is sourced from PubChem (CID 165141460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).