2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine

C11H18N2OS — CID 103907272

IUPAC2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine
SMILESCC1CC(NC(C)c2cscn2)CCO1
InChIInChI=1S/C11H18N2OS/c1-8-5-10(3-4-14-8)13-9(2)11-6-15-7-12-11/h6-10,13H,3-5H2,1-2H3
InChIKeyGVGGACUWOLHZQS-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.36
Rot. Bonds3

About 2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine

2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine (PubChem CID 103907272) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine
PubChem CID103907272
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine
SMILESCC1CC(NC(C)c2cscn2)CCO1
InChIInChI=1S/C11H18N2OS/c1-8-5-10(3-4-14-8)13-9(2)11-6-15-7-12-11/h6-10,13H,3-5H2,1-2H3
InChIKeyGVGGACUWOLHZQS-UHFFFAOYSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine?
The IUPAC name of 2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine (CID 103907272) is 2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine.
What is the SMILES notation for 2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine?
The canonical SMILES for 2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine is CC1CC(NC(C)c2cscn2)CCO1.
What is the InChIKey of 2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine?
The InChIKey is GVGGACUWOLHZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-5-10(3-4-14-8)13-9(2)11-6-15-7-12-11/h6-10,13H,3-5H2,1-2H3.
What are the key properties of 2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine?
2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine has a molecular weight of 226.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 103907272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).