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

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

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Related Compounds

4-[[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]methyl]-3H-1,3-thiazol-2-one
CID 106383534
4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106381551
4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106383560
4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106381565
8-[(5-bromothiophen-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61234821
4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381856
8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61232916
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
3-cyclopropyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 106383741
8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 12832203
4-[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]-3H-1,3-thiazol-2-one
CID 106382434
4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106381567

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).