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

C7H3BrF3N3S — CID 79399684

IUPAC4-bromo-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccn(-c2nc(Br)cs2)n1
InChIInChI=1S/C7H3BrF3N3S/c8-5-3-15-6(12-5)14-2-1-4(13-14)7(9,10)11/h1-3H
InChIKeyQDPUTHRVVDLRPR-UHFFFAOYSA-N
MW298.09 g/mol
LogP3.11
Rot. Bonds1

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

4-bromo-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 79399684) has the molecular formula C7H3BrF3N3S and a molecular weight of 298.09 g/mol. Its IUPAC name is 4-bromo-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID79399684
Molecular FormulaC7H3BrF3N3S
Molecular Weight298.09 g/mol
Exact Mass296.92
IUPAC Name4-bromo-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccn(-c2nc(Br)cs2)n1
InChIInChI=1S/C7H3BrF3N3S/c8-5-3-15-6(12-5)14-2-1-4(13-14)7(9,10)11/h1-3H
InChIKeyQDPUTHRVVDLRPR-UHFFFAOYSA-N
XLogP3.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-bromo-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 79399684) is 4-bromo-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-bromo-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is FC(F)(F)c1ccn(-c2nc(Br)cs2)n1.
What is the InChIKey of 4-bromo-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is QDPUTHRVVDLRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3S/c8-5-3-15-6(12-5)14-2-1-4(13-14)7(9,10)11/h1-3H.
What are the key properties of 4-bromo-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
4-bromo-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 298.09 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 79399684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).