N-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine

C12H18N2OS — CID 64544881

IUPACN-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCNC(C)c1csc(C2CC3CCC2O3)n1
InChIInChI=1S/C12H18N2OS/c1-7(13-2)10-6-16-12(14-10)9-5-8-3-4-11(9)15-8/h6-9,11,13H,3-5H2,1-2H3
InChIKeyDOMMNPSTTBLBST-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.46
Rot. Bonds3

About N-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine

N-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64544881) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64544881
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCNC(C)c1csc(C2CC3CCC2O3)n1
InChIInChI=1S/C12H18N2OS/c1-7(13-2)10-6-16-12(14-10)9-5-8-3-4-11(9)15-8/h6-9,11,13H,3-5H2,1-2H3
InChIKeyDOMMNPSTTBLBST-UHFFFAOYSA-N
XLogP2.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine (CID 64544881) is N-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine is CNC(C)c1csc(C2CC3CCC2O3)n1.
What is the InChIKey of N-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is DOMMNPSTTBLBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-7(13-2)10-6-16-12(14-10)9-5-8-3-4-11(9)15-8/h6-9,11,13H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine?
N-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 238.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64544881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).