2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine

C8H15N3OS — CID 102768803

IUPAC2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine
SMILESCCOCCN(C)c1ncc(N)s1
InChIInChI=1S/C8H15N3OS/c1-3-12-5-4-11(2)8-10-6-7(9)13-8/h6H,3-5,9H2,1-2H3
InChIKeyIOLSIIBVKFTCDZ-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.20
Rot. Bonds5

About 2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine

2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine (PubChem CID 102768803) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine
PubChem CID102768803
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine
SMILESCCOCCN(C)c1ncc(N)s1
InChIInChI=1S/C8H15N3OS/c1-3-12-5-4-11(2)8-10-6-7(9)13-8/h6H,3-5,9H2,1-2H3
InChIKeyIOLSIIBVKFTCDZ-UHFFFAOYSA-N
XLogP1.20
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-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 2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine (CID 102768803) is 2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine is CCOCCN(C)c1ncc(N)s1.
What is the InChIKey of 2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
The InChIKey is IOLSIIBVKFTCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-3-12-5-4-11(2)8-10-6-7(9)13-8/h6H,3-5,9H2,1-2H3.
What are the key properties of 2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine has a molecular weight of 201.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).