5-(5-bromopyrazin-2-yl)-1,3-thiazole

C7H4BrN3S — CID 130120256

IUPAC5-(5-bromopyrazin-2-yl)-1,3-thiazole
SMILESBrc1cnc(-c2cncs2)cn1
InChIInChI=1S/C7H4BrN3S/c8-7-3-10-5(1-11-7)6-2-9-4-12-6/h1-4H
InChIKeyQFDBIBCAJQIOPZ-UHFFFAOYSA-N
MW242.10 g/mol
LogP2.36
Rot. Bonds1

About 5-(5-bromopyrazin-2-yl)-1,3-thiazole

5-(5-bromopyrazin-2-yl)-1,3-thiazole (PubChem CID 130120256) has the molecular formula C7H4BrN3S and a molecular weight of 242.10 g/mol. Its IUPAC name is 5-(5-bromopyrazin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(5-bromopyrazin-2-yl)-1,3-thiazole
PubChem CID130120256
Molecular FormulaC7H4BrN3S
Molecular Weight242.10 g/mol
Exact Mass240.93
IUPAC Name5-(5-bromopyrazin-2-yl)-1,3-thiazole
SMILESBrc1cnc(-c2cncs2)cn1
InChIInChI=1S/C7H4BrN3S/c8-7-3-10-5(1-11-7)6-2-9-4-12-6/h1-4H
InChIKeyQFDBIBCAJQIOPZ-UHFFFAOYSA-N
XLogP2.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromopyrazin-2-yl)-1,3-thiazole?
The IUPAC name of 5-(5-bromopyrazin-2-yl)-1,3-thiazole (CID 130120256) is 5-(5-bromopyrazin-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-(5-bromopyrazin-2-yl)-1,3-thiazole?
The canonical SMILES for 5-(5-bromopyrazin-2-yl)-1,3-thiazole is Brc1cnc(-c2cncs2)cn1.
What is the InChIKey of 5-(5-bromopyrazin-2-yl)-1,3-thiazole?
The InChIKey is QFDBIBCAJQIOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3S/c8-7-3-10-5(1-11-7)6-2-9-4-12-6/h1-4H.
What are the key properties of 5-(5-bromopyrazin-2-yl)-1,3-thiazole?
5-(5-bromopyrazin-2-yl)-1,3-thiazole has a molecular weight of 242.10 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromopyrazin-2-yl)-1,3-thiazole is sourced from PubChem (CID 130120256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).