4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one

C11H17N3OS — CID 106381785

IUPAC4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CC3CCC2N3)cs1
InChIInChI=1S/C11H17N3OS/c15-11-14-9(6-16-11)5-12-4-7-3-8-1-2-10(7)13-8/h6-8,10,12-13H,1-5H2,(H,14,15)
InChIKeyYYVOQXQHUVCYEU-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.67
Rot. Bonds4

About 4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one

4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381785) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106381785
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CC3CCC2N3)cs1
InChIInChI=1S/C11H17N3OS/c15-11-14-9(6-16-11)5-12-4-7-3-8-1-2-10(7)13-8/h6-8,10,12-13H,1-5H2,(H,14,15)
InChIKeyYYVOQXQHUVCYEU-UHFFFAOYSA-N
XLogP0.67
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[[(3,5-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379785
4-[[(2,6-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379792
4-[(cyclohexylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379905
4-[[(2-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379941
4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380075
4-[[(3-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380095
4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380104
4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380119
4-[[(2-ethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380136
4-[[(2,5-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380168
4-[[(2,3-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380205
4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380214

Frequently Asked Questions

What is the IUPAC name of 4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106381785) is 4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC2CC3CCC2N3)cs1.
What is the InChIKey of 4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is YYVOQXQHUVCYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-11-14-9(6-16-11)5-12-4-7-3-8-1-2-10(7)13-8/h6-8,10,12-13H,1-5H2,(H,14,15).
What are the key properties of 4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 239.34 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).