2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine

C8H9N3OS — CID 103756123

IUPAC2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1ncc(-c2cncs2)o1
InChIInChI=1S/C8H9N3OS/c9-2-1-8-11-3-6(12-8)7-4-10-5-13-7/h3-5H,1-2,9H2
InChIKeyVGKGPELSDODZLI-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.30
Rot. Bonds3

About 2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine

2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 103756123) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID103756123
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1ncc(-c2cncs2)o1
InChIInChI=1S/C8H9N3OS/c9-2-1-8-11-3-6(12-8)7-4-10-5-13-7/h3-5H,1-2,9H2
InChIKeyVGKGPELSDODZLI-UHFFFAOYSA-N
XLogP1.30
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine (CID 103756123) is 2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine is NCCc1ncc(-c2cncs2)o1.
What is the InChIKey of 2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is VGKGPELSDODZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c9-2-1-8-11-3-6(12-8)7-4-10-5-13-7/h3-5H,1-2,9H2.
What are the key properties of 2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 195.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 103756123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).