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

C4H4BrNOS — CID 58107318

IUPAC2-bromo-4-methoxy-1,3-thiazole
SMILESCOc1csc(Br)n1
InChIInChI=1S/C4H4BrNOS/c1-7-3-2-8-4(5)6-3/h2H,1H3
InChIKeyOYZSBVWESQQMCK-UHFFFAOYSA-N
MW194.05 g/mol
LogP1.91
Rot. Bonds1

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

2-bromo-4-methoxy-1,3-thiazole (PubChem CID 58107318) has the molecular formula C4H4BrNOS and a molecular weight of 194.05 g/mol. Its IUPAC name is 2-bromo-4-methoxy-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-methoxy-1,3-thiazole
PubChem CID58107318
Molecular FormulaC4H4BrNOS
Molecular Weight194.05 g/mol
Exact Mass192.92
IUPAC Name2-bromo-4-methoxy-1,3-thiazole
SMILESCOc1csc(Br)n1
InChIInChI=1S/C4H4BrNOS/c1-7-3-2-8-4(5)6-3/h2H,1H3
InChIKeyOYZSBVWESQQMCK-UHFFFAOYSA-N
XLogP1.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.05
LogP ≤ 51.91
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-1,3-thiazole?
The IUPAC name of 2-bromo-4-methoxy-1,3-thiazole (CID 58107318) is 2-bromo-4-methoxy-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-methoxy-1,3-thiazole?
The canonical SMILES for 2-bromo-4-methoxy-1,3-thiazole is COc1csc(Br)n1.
What is the InChIKey of 2-bromo-4-methoxy-1,3-thiazole?
The InChIKey is OYZSBVWESQQMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNOS/c1-7-3-2-8-4(5)6-3/h2H,1H3.
What are the key properties of 2-bromo-4-methoxy-1,3-thiazole?
2-bromo-4-methoxy-1,3-thiazole has a molecular weight of 194.05 g/mol, XLogP of 1.91, 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-1,3-thiazole is sourced from PubChem (CID 58107318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).