2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole

C8H6BrNS2 — CID 66647294

IUPAC2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2ccc(Br)s2)s1
InChIInChI=1S/C8H6BrNS2/c1-5-4-10-8(11-5)6-2-3-7(9)12-6/h2-4H,1H3
InChIKeyVGSVJJAZMIBUHL-UHFFFAOYSA-N
MW260.18 g/mol
LogP3.94
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole

2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole (PubChem CID 66647294) has the molecular formula C8H6BrNS2 and a molecular weight of 260.18 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole
PubChem CID66647294
Molecular FormulaC8H6BrNS2
Molecular Weight260.18 g/mol
Exact Mass258.91
IUPAC Name2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2ccc(Br)s2)s1
InChIInChI=1S/C8H6BrNS2/c1-5-4-10-8(11-5)6-2-3-7(9)12-6/h2-4H,1H3
InChIKeyVGSVJJAZMIBUHL-UHFFFAOYSA-N
XLogP3.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole (CID 66647294) is 2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole is Cc1cnc(-c2ccc(Br)s2)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole?
The InChIKey is VGSVJJAZMIBUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNS2/c1-5-4-10-8(11-5)6-2-3-7(9)12-6/h2-4H,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole?
2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole has a molecular weight of 260.18 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 66647294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).