5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole

C9H8BrN3S — CID 127265822

IUPAC5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole
SMILESCn1nccc1C=Cc1ncc(Br)s1
InChIInChI=1S/C9H8BrN3S/c1-13-7(4-5-12-13)2-3-9-11-6-8(10)14-9/h2-6H,1H3
InChIKeyXZBFTDQOFDLEQY-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.81
Rot. Bonds2

About 5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole

5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole (PubChem CID 127265822) has the molecular formula C9H8BrN3S and a molecular weight of 270.16 g/mol. Its IUPAC name is 5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole
PubChem CID127265822
Molecular FormulaC9H8BrN3S
Molecular Weight270.16 g/mol
Exact Mass268.96
IUPAC Name5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole
SMILESCn1nccc1C=Cc1ncc(Br)s1
InChIInChI=1S/C9H8BrN3S/c1-13-7(4-5-12-13)2-3-9-11-6-8(10)14-9/h2-6H,1H3
InChIKeyXZBFTDQOFDLEQY-UHFFFAOYSA-N
XLogP2.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole?
The IUPAC name of 5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole (CID 127265822) is 5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole?
The canonical SMILES for 5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole is Cn1nccc1C=Cc1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole?
The InChIKey is XZBFTDQOFDLEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3S/c1-13-7(4-5-12-13)2-3-9-11-6-8(10)14-9/h2-6H,1H3.
What are the key properties of 5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole?
5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole has a molecular weight of 270.16 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 127265822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).