4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one

C11H17N3OS — CID 106383533

IUPAC4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one
SMILESNC1CC2CCC(C1)N2Cc1csc(=O)[nH]1
InChIInChI=1S/C11H17N3OS/c12-7-3-9-1-2-10(4-7)14(9)5-8-6-16-11(15)13-8/h6-7,9-10H,1-5,12H2,(H,13,15)
InChIKeyJGAAWXDSBTZQQR-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.89
Rot. Bonds2

About 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one

4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106383533) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one
PubChem CID106383533
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one
SMILESNC1CC2CCC(C1)N2Cc1csc(=O)[nH]1
InChIInChI=1S/C11H17N3OS/c12-7-3-9-1-2-10(4-7)14(9)5-8-6-16-11(15)13-8/h6-7,9-10H,1-5,12H2,(H,13,15)
InChIKeyJGAAWXDSBTZQQR-UHFFFAOYSA-N
XLogP0.89
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one (CID 106383533) is 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one is NC1CC2CCC(C1)N2Cc1csc(=O)[nH]1.
What is the InChIKey of 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is JGAAWXDSBTZQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c12-7-3-9-1-2-10(4-7)14(9)5-8-6-16-11(15)13-8/h6-7,9-10H,1-5,12H2,(H,13,15).
What are the key properties of 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one?
4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 239.34 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106383533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).