2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole

C7H6BrN3S — CID 118016433

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole
SMILESCc1nn(-c2nccs2)cc1Br
InChIInChI=1S/C7H6BrN3S/c1-5-6(8)4-11(10-5)7-9-2-3-12-7/h2-4H,1H3
InChIKeyNJXJHDZNCDZMKU-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.40
Rot. Bonds1

About 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole

2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole (PubChem CID 118016433) has the molecular formula C7H6BrN3S and a molecular weight of 244.12 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole
PubChem CID118016433
Molecular FormulaC7H6BrN3S
Molecular Weight244.12 g/mol
Exact Mass242.95
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole
SMILESCc1nn(-c2nccs2)cc1Br
InChIInChI=1S/C7H6BrN3S/c1-5-6(8)4-11(10-5)7-9-2-3-12-7/h2-4H,1H3
InChIKeyNJXJHDZNCDZMKU-UHFFFAOYSA-N
XLogP2.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole (CID 118016433) is 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole is Cc1nn(-c2nccs2)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole?
The InChIKey is NJXJHDZNCDZMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3S/c1-5-6(8)4-11(10-5)7-9-2-3-12-7/h2-4H,1H3.
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole?
2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole has a molecular weight of 244.12 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 118016433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).