4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one

C14H23N3OS — CID 106383534

IUPAC4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one
SMILESCCNC1CC2CCCC(C1)N2Cc1csc(=O)[nH]1
InChIInChI=1S/C14H23N3OS/c1-2-15-10-6-12-4-3-5-13(7-10)17(12)8-11-9-19-14(18)16-11/h9-10,12-13,15H,2-8H2,1H3,(H,16,18)
InChIKeyXWIOLGGCZOYPMC-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.93
Rot. Bonds4

About 4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one

4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106383534) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one
PubChem CID106383534
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one
SMILESCCNC1CC2CCCC(C1)N2Cc1csc(=O)[nH]1
InChIInChI=1S/C14H23N3OS/c1-2-15-10-6-12-4-3-5-13(7-10)17(12)8-11-9-19-14(18)16-11/h9-10,12-13,15H,2-8H2,1H3,(H,16,18)
InChIKeyXWIOLGGCZOYPMC-UHFFFAOYSA-N
XLogP1.93
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one (CID 106383534) is 4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one is CCNC1CC2CCCC(C1)N2Cc1csc(=O)[nH]1.
What is the InChIKey of 4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XWIOLGGCZOYPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-2-15-10-6-12-4-3-5-13(7-10)17(12)8-11-9-19-14(18)16-11/h9-10,12-13,15H,2-8H2,1H3,(H,16,18).
What are the key properties of 4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one?
4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 281.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106383534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).