2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine

C7H12N2OS — CID 4777651

IUPAC2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCOCCNCc1nccs1
InChIInChI=1S/C7H12N2OS/c1-10-4-2-8-6-7-9-3-5-11-7/h3,5,8H,2,4,6H2,1H3
InChIKeyGFEZTROXAMFZOH-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.88
Rot. Bonds5

About 2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine

2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 4777651) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID4777651
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCOCCNCc1nccs1
InChIInChI=1S/C7H12N2OS/c1-10-4-2-8-6-7-9-3-5-11-7/h3,5,8H,2,4,6H2,1H3
InChIKeyGFEZTROXAMFZOH-UHFFFAOYSA-N
XLogP0.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 4777651) is 2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine is COCCNCc1nccs1.
What is the InChIKey of 2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is GFEZTROXAMFZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-10-4-2-8-6-7-9-3-5-11-7/h3,5,8H,2,4,6H2,1H3.
What are the key properties of 2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine?
2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 172.25 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 4777651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).