2-bromo-5-(2-methoxyethyl)-1,3-thiazole

C6H8BrNOS — CID 117259730

IUPAC2-bromo-5-(2-methoxyethyl)-1,3-thiazole
SMILESCOCCc1cnc(Br)s1
InChIInChI=1S/C6H8BrNOS/c1-9-3-2-5-4-8-6(7)10-5/h4H,2-3H2,1H3
InChIKeyVKVZBSCMPNTIOM-UHFFFAOYSA-N
MW222.11 g/mol
LogP2.09
Rot. Bonds3

About 2-bromo-5-(2-methoxyethyl)-1,3-thiazole

2-bromo-5-(2-methoxyethyl)-1,3-thiazole (PubChem CID 117259730) has the molecular formula C6H8BrNOS and a molecular weight of 222.11 g/mol. Its IUPAC name is 2-bromo-5-(2-methoxyethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-(2-methoxyethyl)-1,3-thiazole
PubChem CID117259730
Molecular FormulaC6H8BrNOS
Molecular Weight222.11 g/mol
Exact Mass220.95
IUPAC Name2-bromo-5-(2-methoxyethyl)-1,3-thiazole
SMILESCOCCc1cnc(Br)s1
InChIInChI=1S/C6H8BrNOS/c1-9-3-2-5-4-8-6(7)10-5/h4H,2-3H2,1H3
InChIKeyVKVZBSCMPNTIOM-UHFFFAOYSA-N
XLogP2.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methoxyethyl)-1,3-thiazole?
The IUPAC name of 2-bromo-5-(2-methoxyethyl)-1,3-thiazole (CID 117259730) is 2-bromo-5-(2-methoxyethyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-(2-methoxyethyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-5-(2-methoxyethyl)-1,3-thiazole is COCCc1cnc(Br)s1.
What is the InChIKey of 2-bromo-5-(2-methoxyethyl)-1,3-thiazole?
The InChIKey is VKVZBSCMPNTIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNOS/c1-9-3-2-5-4-8-6(7)10-5/h4H,2-3H2,1H3.
What are the key properties of 2-bromo-5-(2-methoxyethyl)-1,3-thiazole?
2-bromo-5-(2-methoxyethyl)-1,3-thiazole has a molecular weight of 222.11 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methoxyethyl)-1,3-thiazole is sourced from PubChem (CID 117259730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).