2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol

C8H15N3O2S — CID 103360625

IUPAC2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol
SMILESCCOc1c(N)nsc1N(C)CCO
InChIInChI=1S/C8H15N3O2S/c1-3-13-6-7(9)10-14-8(6)11(2)4-5-12/h12H,3-5H2,1-2H3,(H2,9,10)
InChIKeyOJHSNYTXGDOVEN-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.55
Rot. Bonds5

About 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol

2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol (PubChem CID 103360625) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol
PubChem CID103360625
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol
SMILESCCOc1c(N)nsc1N(C)CCO
InChIInChI=1S/C8H15N3O2S/c1-3-13-6-7(9)10-14-8(6)11(2)4-5-12/h12H,3-5H2,1-2H3,(H2,9,10)
InChIKeyOJHSNYTXGDOVEN-UHFFFAOYSA-N
XLogP0.55
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol 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-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol?
The IUPAC name of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol (CID 103360625) is 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol is CCOc1c(N)nsc1N(C)CCO.
What is the InChIKey of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol?
The InChIKey is OJHSNYTXGDOVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-13-6-7(9)10-14-8(6)11(2)4-5-12/h12H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol?
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol has a molecular weight of 217.29 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol is sourced from PubChem (CID 103360625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).