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

C14H20N2OS — CID 116588403

IUPAC1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)CC2CC3CCC(C2)N3)n1
InChIInChI=1S/C14H20N2OS/c1-9-8-18-14(15-9)7-13(17)6-10-4-11-2-3-12(5-10)16-11/h8,10-12,16H,2-7H2,1H3
InChIKeyWSBYBBUEKOALRA-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.48
Rot. Bonds4

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

1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (PubChem CID 116588403) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
PubChem CID116588403
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)CC2CC3CCC(C2)N3)n1
InChIInChI=1S/C14H20N2OS/c1-9-8-18-14(15-9)7-13(17)6-10-4-11-2-3-12(5-10)16-11/h8,10-12,16H,2-7H2,1H3
InChIKeyWSBYBBUEKOALRA-UHFFFAOYSA-N
XLogP2.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one
CID 116559994
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 119797595
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 79614754
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119894159
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892013
1-(4-methyl-1,3-thiazol-2-yl)-3-morpholin-3-ylpropan-2-one
CID 116595810
CID 131842856
CID 131842856
1-(4-methylpyrrolidin-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116572647
1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116591347
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 119813017
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-2-ylpropan-2-one
CID 116588427

Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (CID 116588403) is 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is Cc1csc(CC(=O)CC2CC3CCC(C2)N3)n1.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The InChIKey is WSBYBBUEKOALRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-9-8-18-14(15-9)7-13(17)6-10-4-11-2-3-12(5-10)16-11/h8,10-12,16H,2-7H2,1H3.
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 264.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 116588403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).