2-(4-bromopyrazol-1-yl)-1,3-thiazole

C6H4BrN3S — CID 56828825

IUPAC2-(4-bromopyrazol-1-yl)-1,3-thiazole
SMILESBrc1cnn(-c2nccs2)c1
InChIInChI=1S/C6H4BrN3S/c7-5-3-9-10(4-5)6-8-1-2-11-6/h1-4H
InChIKeyQNSYQSPKBSGFIM-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.09
Rot. Bonds1

About 2-(4-bromopyrazol-1-yl)-1,3-thiazole

2-(4-bromopyrazol-1-yl)-1,3-thiazole (PubChem CID 56828825) has the molecular formula C6H4BrN3S and a molecular weight of 230.09 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-1,3-thiazole
PubChem CID56828825
Molecular FormulaC6H4BrN3S
Molecular Weight230.09 g/mol
Exact Mass228.93
IUPAC Name2-(4-bromopyrazol-1-yl)-1,3-thiazole
SMILESBrc1cnn(-c2nccs2)c1
InChIInChI=1S/C6H4BrN3S/c7-5-3-9-10(4-5)6-8-1-2-11-6/h1-4H
InChIKeyQNSYQSPKBSGFIM-UHFFFAOYSA-N
XLogP2.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-1,3-thiazole?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-1,3-thiazole (CID 56828825) is 2-(4-bromopyrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-1,3-thiazole is Brc1cnn(-c2nccs2)c1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-1,3-thiazole?
The InChIKey is QNSYQSPKBSGFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3S/c7-5-3-9-10(4-5)6-8-1-2-11-6/h1-4H.
What are the key properties of 2-(4-bromopyrazol-1-yl)-1,3-thiazole?
2-(4-bromopyrazol-1-yl)-1,3-thiazole has a molecular weight of 230.09 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 56828825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).