5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole

C8H12BrNOS — CID 82430363

IUPAC5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole
SMILESCCc1nc(COC)sc1CBr
InChIInChI=1S/C8H12BrNOS/c1-3-6-7(4-9)12-8(10-6)5-11-2/h3-5H2,1-2H3
InChIKeyLEQLRQSYFJKJDA-UHFFFAOYSA-N
MW250.16 g/mol
LogP2.75
Rot. Bonds4

About 5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole

5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole (PubChem CID 82430363) has the molecular formula C8H12BrNOS and a molecular weight of 250.16 g/mol. Its IUPAC name is 5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole
PubChem CID82430363
Molecular FormulaC8H12BrNOS
Molecular Weight250.16 g/mol
Exact Mass248.98
IUPAC Name5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole
SMILESCCc1nc(COC)sc1CBr
InChIInChI=1S/C8H12BrNOS/c1-3-6-7(4-9)12-8(10-6)5-11-2/h3-5H2,1-2H3
InChIKeyLEQLRQSYFJKJDA-UHFFFAOYSA-N
XLogP2.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine
CID 82430445
5-ethyl-2-(methoxymethyl)-4-methyl-1,3-thiazole
CID 129301399
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432837
[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methanol
CID 82428335
(E)-3-[4-ethyl-2-(methoxymethyl)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82430387
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364603
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428482
N-[[2-(methoxymethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368906
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428338
4,5-diethyl-2-propyl-1,3-thiazole
CID 150030476
(4,5-diethyl-1,3-thiazol-2-yl)methanamine
CID 105434611
N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841261

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole (CID 82430363) is 5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole is CCc1nc(COC)sc1CBr.
What is the InChIKey of 5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole?
The InChIKey is LEQLRQSYFJKJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNOS/c1-3-6-7(4-9)12-8(10-6)5-11-2/h3-5H2,1-2H3.
What are the key properties of 5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole?
5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole has a molecular weight of 250.16 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 82430363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).