4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine

C11H20N4O2S — CID 103359119

IUPAC4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCC1CN(C)CCO1
InChIInChI=1S/C11H20N4O2S/c1-3-16-9-10(12)14-18-11(9)13-6-8-7-15(2)4-5-17-8/h8,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyPJLQYXAENAEEJB-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.87
Rot. Bonds5

About 4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359119) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103359119
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCC1CN(C)CCO1
InChIInChI=1S/C11H20N4O2S/c1-3-16-9-10(12)14-18-11(9)13-6-8-7-15(2)4-5-17-8/h8,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyPJLQYXAENAEEJB-UHFFFAOYSA-N
XLogP0.87
TPSA72.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine 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 4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103359119) is 4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NCC1CN(C)CCO1.
What is the InChIKey of 4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is PJLQYXAENAEEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-16-9-10(12)14-18-11(9)13-6-8-7-15(2)4-5-17-8/h8,13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 272.37 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).