N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine

C12H20N2OS — CID 46784197

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine
SMILESCc1cnc(CNCCC2CCOCC2)s1
InChIInChI=1S/C12H20N2OS/c1-10-8-14-12(16-10)9-13-5-2-11-3-6-15-7-4-11/h8,11,13H,2-7,9H2,1H3
InChIKeyBWSOAFOQSRWQCK-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.36
Rot. Bonds5

About N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine (PubChem CID 46784197) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine
PubChem CID46784197
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine
SMILESCc1cnc(CNCCC2CCOCC2)s1
InChIInChI=1S/C12H20N2OS/c1-10-8-14-12(16-10)9-13-5-2-11-3-6-15-7-4-11/h8,11,13H,2-7,9H2,1H3
InChIKeyBWSOAFOQSRWQCK-UHFFFAOYSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.36
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 N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine (CID 46784197) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine is Cc1cnc(CNCCC2CCOCC2)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine?
The InChIKey is BWSOAFOQSRWQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-8-14-12(16-10)9-13-5-2-11-3-6-15-7-4-11/h8,11,13H,2-7,9H2,1H3.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 46784197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).