2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

C11H18N2OS — CID 46784228

IUPAC2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESc1csc(CNCCC2CCOCC2)n1
InChIInChI=1S/C11H18N2OS/c1(10-2-6-14-7-3-10)4-12-9-11-13-5-8-15-11/h5,8,10,12H,1-4,6-7,9H2
InChIKeyMREOUURCVIRRED-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.05
Rot. Bonds5

About 2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 46784228) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID46784228
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESc1csc(CNCCC2CCOCC2)n1
InChIInChI=1S/C11H18N2OS/c1(10-2-6-14-7-3-10)4-12-9-11-13-5-8-15-11/h5,8,10,12H,1-4,6-7,9H2
InChIKeyMREOUURCVIRRED-UHFFFAOYSA-N
XLogP2.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 46784228) is 2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is c1csc(CNCCC2CCOCC2)n1.
What is the InChIKey of 2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is MREOUURCVIRRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1(10-2-6-14-7-3-10)4-12-9-11-13-5-8-15-11/h5,8,10,12H,1-4,6-7,9H2.
What are the key properties of 2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 226.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 46784228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).