5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine

C8H15N3OS — CID 87904336

IUPAC5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine
SMILESCOCCNC(C)c1cnc(N)s1
InChIInChI=1S/C8H15N3OS/c1-6(10-3-4-12-2)7-5-11-8(9)13-7/h5-6,10H,3-4H2,1-2H3,(H2,9,11)
InChIKeyQXQBIQGCASOUDZ-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.02
Rot. Bonds5

About 5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine

5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 87904336) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID87904336
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine
SMILESCOCCNC(C)c1cnc(N)s1
InChIInChI=1S/C8H15N3OS/c1-6(10-3-4-12-2)7-5-11-8(9)13-7/h5-6,10H,3-4H2,1-2H3,(H2,9,11)
InChIKeyQXQBIQGCASOUDZ-UHFFFAOYSA-N
XLogP1.02
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine 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 5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine (CID 87904336) is 5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine is COCCNC(C)c1cnc(N)s1.
What is the InChIKey of 5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is QXQBIQGCASOUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-6(10-3-4-12-2)7-5-11-8(9)13-7/h5-6,10H,3-4H2,1-2H3,(H2,9,11).
What are the key properties of 5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine?
5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 201.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87904336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).