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

C12H16N2OS — CID 63284710

IUPAC8-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCc1ncsc1CN1C2CCC1CC(=O)C2
InChIInChI=1S/C12H16N2OS/c1-8-12(16-7-13-8)6-14-9-2-3-10(14)5-11(15)4-9/h7,9-10H,2-6H2,1H3
InChIKeyNANKKOJBXQBBKT-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.15
Rot. Bonds2

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

8-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 63284710) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 8-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
PubChem CID63284710
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name8-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCc1ncsc1CN1C2CCC1CC(=O)C2
InChIInChI=1S/C12H16N2OS/c1-8-12(16-7-13-8)6-14-9-2-3-10(14)5-11(15)4-9/h7,9-10H,2-6H2,1H3
InChIKeyNANKKOJBXQBBKT-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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Related Compounds

3-Fluoro-8-(4-methyl-1,3-thiazole-5-carbonyl)-8-azabicyclo[3.2.1]octane
CID 137889214
2-[[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cycloheptan-1-one
CID 55262117
8-[(2-Methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
CID 62738755
8-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
CID 62739804
2-Methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one
CID 63280791
1-[(4-Methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one
CID 63281156
3-Methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one
CID 63281158
9-[(4-Methyl-1,3-thiazol-5-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 63284666
2-[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclopentan-1-one
CID 63836792
4-Methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one
CID 63837179
2-[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cycloheptan-1-one
CID 63837316
2-[[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-one
CID 63837523

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one (CID 63284710) is 8-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one is Cc1ncsc1CN1C2CCC1CC(=O)C2.
What is the InChIKey of 8-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is NANKKOJBXQBBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-12(16-7-13-8)6-14-9-2-3-10(14)5-11(15)4-9/h7,9-10H,2-6H2,1H3.
What are the key properties of 8-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
8-[(4-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-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 63284710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).