2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine

C13H19N5OS — CID 84750685

IUPAC2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(C(c2cnc[nH]2)N2CCOCC2)n1
InChIInChI=1S/C13H19N5OS/c14-2-1-10-8-20-13(17-10)12(11-7-15-9-16-11)18-3-5-19-6-4-18/h7-9,12H,1-6,14H2,(H,15,16)
InChIKeyYAJUSVBWYVSHFS-UHFFFAOYSA-N
MW293.40 g/mol
LogP0.79
Rot. Bonds5

About 2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine

2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 84750685) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID84750685
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(C(c2cnc[nH]2)N2CCOCC2)n1
InChIInChI=1S/C13H19N5OS/c14-2-1-10-8-20-13(17-10)12(11-7-15-9-16-11)18-3-5-19-6-4-18/h7-9,12H,1-6,14H2,(H,15,16)
InChIKeyYAJUSVBWYVSHFS-UHFFFAOYSA-N
XLogP0.79
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine (CID 84750685) is 2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine is NCCc1csc(C(c2cnc[nH]2)N2CCOCC2)n1.
What is the InChIKey of 2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is YAJUSVBWYVSHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c14-2-1-10-8-20-13(17-10)12(11-7-15-9-16-11)18-3-5-19-6-4-18/h7-9,12H,1-6,14H2,(H,15,16).
What are the key properties of 2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 293.40 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1H-imidazol-5-yl(morpholin-4-yl)methyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 84750685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).