2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole

C12H8BrN3S — CID 56956102

IUPAC2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole
SMILESBrc1ccc(-n2nccc2-c2nccs2)cc1
InChIInChI=1S/C12H8BrN3S/c13-9-1-3-10(4-2-9)16-11(5-6-15-16)12-14-7-8-17-12/h1-8H
InChIKeyBSSDJVWXULJZFJ-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.76
Rot. Bonds2

About 2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole

2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole (PubChem CID 56956102) has the molecular formula C12H8BrN3S and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole
PubChem CID56956102
Molecular FormulaC12H8BrN3S
Molecular Weight306.19 g/mol
Exact Mass304.96
IUPAC Name2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole
SMILESBrc1ccc(-n2nccc2-c2nccs2)cc1
InChIInChI=1S/C12H8BrN3S/c13-9-1-3-10(4-2-9)16-11(5-6-15-16)12-14-7-8-17-12/h1-8H
InChIKeyBSSDJVWXULJZFJ-UHFFFAOYSA-N
XLogP3.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole (CID 56956102) is 2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole is Brc1ccc(-n2nccc2-c2nccs2)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole?
The InChIKey is BSSDJVWXULJZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3S/c13-9-1-3-10(4-2-9)16-11(5-6-15-16)12-14-7-8-17-12/h1-8H.
What are the key properties of 2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole?
2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole has a molecular weight of 306.19 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 56956102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).