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

C8H13BrN2OS — CID 67962478

IUPAC4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCOCCN(C)c1nc(Br)cs1
InChIInChI=1S/C8H13BrN2OS/c1-3-12-5-4-11(2)8-10-7(9)6-13-8/h6H,3-5H2,1-2H3
InChIKeyHFTBMRHHIHIPOB-UHFFFAOYSA-N
MW265.18 g/mol
LogP2.38
Rot. Bonds5

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

4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 67962478) has the molecular formula C8H13BrN2OS and a molecular weight of 265.18 g/mol. Its IUPAC name is 4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID67962478
Molecular FormulaC8H13BrN2OS
Molecular Weight265.18 g/mol
Exact Mass263.99
IUPAC Name4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCOCCN(C)c1nc(Br)cs1
InChIInChI=1S/C8H13BrN2OS/c1-3-12-5-4-11(2)8-10-7(9)6-13-8/h6H,3-5H2,1-2H3
InChIKeyHFTBMRHHIHIPOB-UHFFFAOYSA-N
XLogP2.38
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 52.38
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-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine (CID 67962478) is 4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine is CCOCCN(C)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is HFTBMRHHIHIPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2OS/c1-3-12-5-4-11(2)8-10-7(9)6-13-8/h6H,3-5H2,1-2H3.
What are the key properties of 4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine?
4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 265.18 g/mol, XLogP of 2.38, 5 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-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 67962478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).