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

C9H17N3OS — CID 103362970

IUPAC5-N-(2-ethoxyethyl)-5-N-ethyl-1,2-thiazole-3,5-diamine
SMILESCCOCCN(CC)c1cc(N)ns1
InChIInChI=1S/C9H17N3OS/c1-3-12(5-6-13-4-2)9-7-8(10)11-14-9/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyFNRBTMGEYVDOFV-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.59
Rot. Bonds6

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

5-N-(2-ethoxyethyl)-5-N-ethyl-1,2-thiazole-3,5-diamine (PubChem CID 103362970) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-N-(2-ethoxyethyl)-5-N-ethyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-ethoxyethyl)-5-N-ethyl-1,2-thiazole-3,5-diamine
PubChem CID103362970
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name5-N-(2-ethoxyethyl)-5-N-ethyl-1,2-thiazole-3,5-diamine
SMILESCCOCCN(CC)c1cc(N)ns1
InChIInChI=1S/C9H17N3OS/c1-3-12(5-6-13-4-2)9-7-8(10)11-14-9/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyFNRBTMGEYVDOFV-UHFFFAOYSA-N
XLogP1.59
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethoxyethyl)-5-N-ethyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-ethoxyethyl)-5-N-ethyl-1,2-thiazole-3,5-diamine (CID 103362970) is 5-N-(2-ethoxyethyl)-5-N-ethyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-ethoxyethyl)-5-N-ethyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-ethoxyethyl)-5-N-ethyl-1,2-thiazole-3,5-diamine is CCOCCN(CC)c1cc(N)ns1.
What is the InChIKey of 5-N-(2-ethoxyethyl)-5-N-ethyl-1,2-thiazole-3,5-diamine?
The InChIKey is FNRBTMGEYVDOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-12(5-6-13-4-2)9-7-8(10)11-14-9/h7H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 5-N-(2-ethoxyethyl)-5-N-ethyl-1,2-thiazole-3,5-diamine?
5-N-(2-ethoxyethyl)-5-N-ethyl-1,2-thiazole-3,5-diamine has a molecular weight of 215.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethoxyethyl)-5-N-ethyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).