8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one

C13H18N2OS — CID 62740669

IUPAC8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCCc1nc(N2C3CCC2CC(=O)C3)sc1C
InChIInChI=1S/C13H18N2OS/c1-3-12-8(2)17-13(14-12)15-9-4-5-10(15)7-11(16)6-9/h9-10H,3-7H2,1-2H3
InChIKeyMRUMBRUXTQGMNY-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.71
Rot. Bonds2

About 8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one

8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62740669) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62740669
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCCc1nc(N2C3CCC2CC(=O)C3)sc1C
InChIInChI=1S/C13H18N2OS/c1-3-12-8(2)17-13(14-12)15-9-4-5-10(15)7-11(16)6-9/h9-10H,3-7H2,1-2H3
InChIKeyMRUMBRUXTQGMNY-UHFFFAOYSA-N
XLogP2.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one (CID 62740669) is 8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one is CCc1nc(N2C3CCC2CC(=O)C3)sc1C.
What is the InChIKey of 8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is MRUMBRUXTQGMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-12-8(2)17-13(14-12)15-9-4-5-10(15)7-11(16)6-9/h9-10H,3-7H2,1-2H3.
What are the key properties of 8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one?
8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 250.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62740669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).