1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate

C19H23N3O2S — CID 59291257

IUPAC1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate
SMILESO=C(Nc1ncsc1-c1ccccc1)OCC12CCCN(CC1)CC2
InChIInChI=1S/C19H23N3O2S/c23-18(24-13-19-7-4-10-22(11-8-19)12-9-19)21-17-16(25-14-20-17)15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13H2,(H,21,23)
InChIKeyHGACFFYPWSEVSW-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.23
Rot. Bonds4

About 1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate

1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate (PubChem CID 59291257) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate.

Molecular Properties

Compound Name1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate
PubChem CID59291257
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate
SMILESO=C(Nc1ncsc1-c1ccccc1)OCC12CCCN(CC1)CC2
InChIInChI=1S/C19H23N3O2S/c23-18(24-13-19-7-4-10-22(11-8-19)12-9-19)21-17-16(25-14-20-17)15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13H2,(H,21,23)
InChIKeyHGACFFYPWSEVSW-UHFFFAOYSA-N
XLogP4.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate?
The IUPAC name of 1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate (CID 59291257) is 1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate.
What is the SMILES notation for 1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate?
The canonical SMILES for 1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate is O=C(Nc1ncsc1-c1ccccc1)OCC12CCCN(CC1)CC2.
What is the InChIKey of 1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate?
The InChIKey is HGACFFYPWSEVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-18(24-13-19-7-4-10-22(11-8-19)12-9-19)21-17-16(25-14-20-17)15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13H2,(H,21,23).
What are the key properties of 1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate?
1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate has a molecular weight of 357.48 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.2]nonan-5-ylmethyl N-(5-phenyl-1,3-thiazol-4-yl)carbamate is sourced from PubChem (CID 59291257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).