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

C5H4BrNS — CID 18761608

IUPAC4-bromo-2-ethenyl-1,3-thiazole
SMILESC=Cc1nc(Br)cs1
InChIInChI=1S/C5H4BrNS/c1-2-5-7-4(6)3-8-5/h2-3H,1H2
InChIKeyBTJROFVTZZAMMK-UHFFFAOYSA-N
MW190.06 g/mol
LogP2.55
Rot. Bonds1

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

4-bromo-2-ethenyl-1,3-thiazole (PubChem CID 18761608) has the molecular formula C5H4BrNS and a molecular weight of 190.06 g/mol. Its IUPAC name is 4-bromo-2-ethenyl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-ethenyl-1,3-thiazole
PubChem CID18761608
Molecular FormulaC5H4BrNS
Molecular Weight190.06 g/mol
Exact Mass188.92
IUPAC Name4-bromo-2-ethenyl-1,3-thiazole
SMILESC=Cc1nc(Br)cs1
InChIInChI=1S/C5H4BrNS/c1-2-5-7-4(6)3-8-5/h2-3H,1H2
InChIKeyBTJROFVTZZAMMK-UHFFFAOYSA-N
XLogP2.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.06
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethenyl-1,3-thiazole?
The IUPAC name of 4-bromo-2-ethenyl-1,3-thiazole (CID 18761608) is 4-bromo-2-ethenyl-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-ethenyl-1,3-thiazole?
The canonical SMILES for 4-bromo-2-ethenyl-1,3-thiazole is C=Cc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-ethenyl-1,3-thiazole?
The InChIKey is BTJROFVTZZAMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNS/c1-2-5-7-4(6)3-8-5/h2-3H,1H2.
What are the key properties of 4-bromo-2-ethenyl-1,3-thiazole?
4-bromo-2-ethenyl-1,3-thiazole has a molecular weight of 190.06 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethenyl-1,3-thiazole is sourced from PubChem (CID 18761608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).