1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate

C19H23N3O3S — CID 59291366

IUPAC1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate
SMILESCOc1nc(NC(=O)OCC2CN3CCC2CC3)c(-c2ccccc2)s1
InChIInChI=1S/C19H23N3O3S/c1-24-19-21-17(16(26-19)14-5-3-2-4-6-14)20-18(23)25-12-15-11-22-9-7-13(15)8-10-22/h2-6,13,15H,7-12H2,1H3,(H,20,23)
InChIKeyFPBPLSZYZMYFNG-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.71
Rot. Bonds5

About 1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate

1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate (PubChem CID 59291366) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate
PubChem CID59291366
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate
SMILESCOc1nc(NC(=O)OCC2CN3CCC2CC3)c(-c2ccccc2)s1
InChIInChI=1S/C19H23N3O3S/c1-24-19-21-17(16(26-19)14-5-3-2-4-6-14)20-18(23)25-12-15-11-22-9-7-13(15)8-10-22/h2-6,13,15H,7-12H2,1H3,(H,20,23)
InChIKeyFPBPLSZYZMYFNG-UHFFFAOYSA-N
XLogP3.71
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
CID 59291378
1-azabicyclo[3.2.1]octan-4-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate;hydrochloride
CID 161456237
1-azabicyclo[2.2.2]octan-3-ylmethyl N-(5-thiophen-2-yl-1,3-thiazol-4-yl)carbamate
CID 59291287
1-azabicyclo[2.2.2]octan-3-ylmethyl N-[5-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]carbamate
CID 59291514
1-azabicyclo[2.2.2]octan-3-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate
CID 59291268
[(3S)-1-azabicyclo[2.2.2]octan-3-yl]methyl 2-phenylacetate
CID 145196391
1-azabicyclo[3.2.1]octan-3-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate
CID 59291539
2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide
CID 67042246
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxy-5-phenylthiophene-2-carboxamide
CID 18180378
N-[1-(1-azabicyclo[2.2.2]octan-3-ylmethoxy)propa-1,2-dienyl]-5-(2-methylphenyl)-1,3-thiazol-4-amine
CID 89129493
1-azabicyclo[2.2.2]octan-4-ylmethyl N-[2-(fluoromethyl)-5-phenyl-1,3-thiazol-4-yl]carbamate
CID 59291350
(1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate
CID 12650344

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate (CID 59291366) is 1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate is COc1nc(NC(=O)OCC2CN3CCC2CC3)c(-c2ccccc2)s1.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate?
The InChIKey is FPBPLSZYZMYFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-24-19-21-17(16(26-19)14-5-3-2-4-6-14)20-18(23)25-12-15-11-22-9-7-13(15)8-10-22/h2-6,13,15H,7-12H2,1H3,(H,20,23).
What are the key properties of 1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate?
1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate has a molecular weight of 373.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-3-ylmethyl N-(2-methoxy-5-phenyl-1,3-thiazol-4-yl)carbamate is sourced from PubChem (CID 59291366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).