2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine

C9H14N2OS — CID 130649338

IUPAC2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine
SMILESNC(CC1CCOC1)c1ccsn1
InChIInChI=1S/C9H14N2OS/c10-8(9-2-4-13-11-9)5-7-1-3-12-6-7/h2,4,7-8H,1,3,5-6,10H2
InChIKeyJOIJJVDSHNBBMG-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.57
Rot. Bonds3

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

2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine (PubChem CID 130649338) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine
PubChem CID130649338
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine
SMILESNC(CC1CCOC1)c1ccsn1
InChIInChI=1S/C9H14N2OS/c10-8(9-2-4-13-11-9)5-7-1-3-12-6-7/h2,4,7-8H,1,3,5-6,10H2
InChIKeyJOIJJVDSHNBBMG-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine?
The IUPAC name of 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine (CID 130649338) is 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine.
What is the SMILES notation for 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine?
The canonical SMILES for 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine is NC(CC1CCOC1)c1ccsn1.
What is the InChIKey of 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine?
The InChIKey is JOIJJVDSHNBBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c10-8(9-2-4-13-11-9)5-7-1-3-12-6-7/h2,4,7-8H,1,3,5-6,10H2.
What are the key properties of 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine?
2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine has a molecular weight of 198.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine is sourced from PubChem (CID 130649338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).