2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine

C9H14N2OS — CID 65328335

IUPAC2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(C2CCCO2)n1
InChIInChI=1S/C9H14N2OS/c10-4-3-7-6-13-9(11-7)8-2-1-5-12-8/h6,8H,1-5,10H2
InChIKeyFGLBXFFHSZDUIW-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.50
Rot. Bonds3

About 2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine

2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 65328335) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID65328335
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(C2CCCO2)n1
InChIInChI=1S/C9H14N2OS/c10-4-3-7-6-13-9(11-7)8-2-1-5-12-8/h6,8H,1-5,10H2
InChIKeyFGLBXFFHSZDUIW-UHFFFAOYSA-N
XLogP1.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine (CID 65328335) is 2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine is NCCc1csc(C2CCCO2)n1.
What is the InChIKey of 2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is FGLBXFFHSZDUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c10-4-3-7-6-13-9(11-7)8-2-1-5-12-8/h6,8H,1-5,10H2.
What are the key properties of 2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 198.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 65328335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).