4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole

C10H14BrNO2S — CID 147113230

IUPAC4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole
SMILESBrCc1csc(COC2CCCCO2)n1
InChIInChI=1S/C10H14BrNO2S/c11-5-8-7-15-9(12-8)6-14-10-3-1-2-4-13-10/h7,10H,1-6H2
InChIKeyBMXGLFGUTURBAK-UHFFFAOYSA-N
MW292.20 g/mol
LogP3.08
Rot. Bonds4

About 4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole

4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole (PubChem CID 147113230) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole
PubChem CID147113230
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole
SMILESBrCc1csc(COC2CCCCO2)n1
InChIInChI=1S/C10H14BrNO2S/c11-5-8-7-15-9(12-8)6-14-10-3-1-2-4-13-10/h7,10H,1-6H2
InChIKeyBMXGLFGUTURBAK-UHFFFAOYSA-N
XLogP3.08
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromothiophen-3-yl)methoxy]oxane
CID 20815950
2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 70794122
2-[[4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methoxy]oxane
CID 14423027
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile
CID 148635999
3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole
CID 126752253
2-[[3-(bromomethyl)-4-fluorophenyl]methoxy]oxane
CID 67128227
2-bromo-5-(oxan-2-yloxymethyl)pyridine
CID 18469682
4-bromo-5-(oxan-2-yloxymethyl)-1H-pyrazole
CID 139312696
3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole
CID 164718904
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole?
The IUPAC name of 4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole (CID 147113230) is 4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole is BrCc1csc(COC2CCCCO2)n1.
What is the InChIKey of 4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole?
The InChIKey is BMXGLFGUTURBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c11-5-8-7-15-9(12-8)6-14-10-3-1-2-4-13-10/h7,10H,1-6H2.
What are the key properties of 4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole?
4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole has a molecular weight of 292.20 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 147113230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).