8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one

C12H16N2OS — CID 62738755

IUPAC8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCc1ncc(CN2C3CCC2CC(=O)C3)s1
InChIInChI=1S/C12H16N2OS/c1-8-13-6-12(16-8)7-14-9-2-3-10(14)5-11(15)4-9/h6,9-10H,2-5,7H2,1H3
InChIKeyLYYJIBQAHSTWQO-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.15
Rot. Bonds2

About 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one

8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62738755) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62738755
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCc1ncc(CN2C3CCC2CC(=O)C3)s1
InChIInChI=1S/C12H16N2OS/c1-8-13-6-12(16-8)7-14-9-2-3-10(14)5-11(15)4-9/h6,9-10H,2-5,7H2,1H3
InChIKeyLYYJIBQAHSTWQO-UHFFFAOYSA-N
XLogP2.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one (CID 62738755) is 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one is Cc1ncc(CN2C3CCC2CC(=O)C3)s1.
What is the InChIKey of 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is LYYJIBQAHSTWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-13-6-12(16-8)7-14-9-2-3-10(14)5-11(15)4-9/h6,9-10H,2-5,7H2,1H3.
What are the key properties of 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 236.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62738755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).