2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole

C6H4BrN3S — CID 64993224

IUPAC2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole
SMILESBrc1cn[nH]c1-c1nccs1
InChIInChI=1S/C6H4BrN3S/c7-4-3-9-10-5(4)6-8-1-2-11-6/h1-3H,(H,9,10)
InChIKeySCMPDQDVFAIXRB-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.30
Rot. Bonds1

About 2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole

2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole (PubChem CID 64993224) has the molecular formula C6H4BrN3S and a molecular weight of 230.09 g/mol. Its IUPAC name is 2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole
PubChem CID64993224
Molecular FormulaC6H4BrN3S
Molecular Weight230.09 g/mol
Exact Mass228.93
IUPAC Name2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole
SMILESBrc1cn[nH]c1-c1nccs1
InChIInChI=1S/C6H4BrN3S/c7-4-3-9-10-5(4)6-8-1-2-11-6/h1-3H,(H,9,10)
InChIKeySCMPDQDVFAIXRB-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole (CID 64993224) is 2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole is Brc1cn[nH]c1-c1nccs1.
What is the InChIKey of 2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole?
The InChIKey is SCMPDQDVFAIXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3S/c7-4-3-9-10-5(4)6-8-1-2-11-6/h1-3H,(H,9,10).
What are the key properties of 2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole?
2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole has a molecular weight of 230.09 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1H-pyrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 64993224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).