2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone

C11H15N3O2S — CID 66371406

IUPAC2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESNc1nc(CC(=O)N2CC3CCC(C2)O3)cs1
InChIInChI=1S/C11H15N3O2S/c12-11-13-7(6-17-11)3-10(15)14-4-8-1-2-9(5-14)16-8/h6,8-9H,1-5H2,(H2,12,13)
InChIKeyPOJVNTDPNAUFMH-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.66
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone

2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 66371406) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID66371406
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESNc1nc(CC(=O)N2CC3CCC(C2)O3)cs1
InChIInChI=1S/C11H15N3O2S/c12-11-13-7(6-17-11)3-10(15)14-4-8-1-2-9(5-14)16-8/h6,8-9H,1-5H2,(H2,12,13)
InChIKeyPOJVNTDPNAUFMH-UHFFFAOYSA-N
XLogP0.66
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62797835
2-(2-amino-1,3-thiazol-4-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104967422
2-(2-amino-1,3-thiazol-4-yl)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106586801
2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 62797698
2-(2-amino-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62798738
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 94180394
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 62795384
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one
CID 64682031
(2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 79034814
2-(2-amino-1,3-thiazol-4-yl)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634520
2-(2-amino-1,3-thiazol-4-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 62797097
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 66371406) is 2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is Nc1nc(CC(=O)N2CC3CCC(C2)O3)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is POJVNTDPNAUFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c12-11-13-7(6-17-11)3-10(15)14-4-8-1-2-9(5-14)16-8/h6,8-9H,1-5H2,(H2,12,13).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 253.33 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 66371406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).