4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine

C9H15BrN2OS — CID 79399183

IUPAC4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCOCCN(CC)c1nc(Br)cs1
InChIInChI=1S/C9H15BrN2OS/c1-3-12(5-6-13-4-2)9-11-8(10)7-14-9/h7H,3-6H2,1-2H3
InChIKeyVTZKBWMYWYOPDY-UHFFFAOYSA-N
MW279.20 g/mol
LogP2.77
Rot. Bonds6

About 4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine

4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 79399183) has the molecular formula C9H15BrN2OS and a molecular weight of 279.20 g/mol. Its IUPAC name is 4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID79399183
Molecular FormulaC9H15BrN2OS
Molecular Weight279.20 g/mol
Exact Mass278.01
IUPAC Name4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCOCCN(CC)c1nc(Br)cs1
InChIInChI=1S/C9H15BrN2OS/c1-3-12(5-6-13-4-2)9-11-8(10)7-14-9/h7H,3-6H2,1-2H3
InChIKeyVTZKBWMYWYOPDY-UHFFFAOYSA-N
XLogP2.77
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine (CID 79399183) is 4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine is CCOCCN(CC)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is VTZKBWMYWYOPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2OS/c1-3-12(5-6-13-4-2)9-11-8(10)7-14-9/h7H,3-6H2,1-2H3.
What are the key properties of 4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine?
4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 279.20 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79399183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).