2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole

C4H6BrNOS — CID 138485907

IUPAC2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole
SMILESCOC1CSC(Br)=N1
InChIInChI=1S/C4H6BrNOS/c1-7-3-2-8-4(5)6-3/h3H,2H2,1H3
InChIKeyWUHWJLIQLGDAMV-UHFFFAOYSA-N
MW196.07 g/mol
LogP1.46
Rot. Bonds1

About 2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole

2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole (PubChem CID 138485907) has the molecular formula C4H6BrNOS and a molecular weight of 196.07 g/mol. Its IUPAC name is 2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole
PubChem CID138485907
Molecular FormulaC4H6BrNOS
Molecular Weight196.07 g/mol
Exact Mass194.94
IUPAC Name2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole
SMILESCOC1CSC(Br)=N1
InChIInChI=1S/C4H6BrNOS/c1-7-3-2-8-4(5)6-3/h3H,2H2,1H3
InChIKeyWUHWJLIQLGDAMV-UHFFFAOYSA-N
XLogP1.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.07
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole (CID 138485907) is 2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole is COC1CSC(Br)=N1.
What is the InChIKey of 2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole?
The InChIKey is WUHWJLIQLGDAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrNOS/c1-7-3-2-8-4(5)6-3/h3H,2H2,1H3.
What are the key properties of 2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole?
2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole has a molecular weight of 196.07 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 138485907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).