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

C8H14N2OS — CID 62544618

IUPAC2-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCOCCNCc1scnc1C
InChIInChI=1S/C8H14N2OS/c1-7-8(12-6-10-7)5-9-3-4-11-2/h6,9H,3-5H2,1-2H3
InChIKeyVZELPDMOAUBLOJ-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.19
Rot. Bonds5

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

2-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 62544618) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID62544618
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCOCCNCc1scnc1C
InChIInChI=1S/C8H14N2OS/c1-7-8(12-6-10-7)5-9-3-4-11-2/h6,9H,3-5H2,1-2H3
InChIKeyVZELPDMOAUBLOJ-UHFFFAOYSA-N
XLogP1.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.19
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-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 62544618) is 2-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is COCCNCc1scnc1C.
What is the InChIKey of 2-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is VZELPDMOAUBLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-7-8(12-6-10-7)5-9-3-4-11-2/h6,9H,3-5H2,1-2H3.
What are the key properties of 2-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
2-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 186.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 62544618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).