4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole

C18H11BrFN3S — CID 3413478

IUPAC4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole
SMILESFc1ccc(-c2ccnn2-c2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C18H11BrFN3S/c19-14-5-1-12(2-6-14)16-11-24-18(22-16)23-17(9-10-21-23)13-3-7-15(20)8-4-13/h1-11H
InChIKeyRFXLHHGCHJKMKI-UHFFFAOYSA-N
MW400.28 g/mol
LogP5.56
Rot. Bonds3

About 4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole

4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 3413478) has the molecular formula C18H11BrFN3S and a molecular weight of 400.28 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID3413478
Molecular FormulaC18H11BrFN3S
Molecular Weight400.28 g/mol
Exact Mass398.98
IUPAC Name4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole
SMILESFc1ccc(-c2ccnn2-c2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C18H11BrFN3S/c19-14-5-1-12(2-6-14)16-11-24-18(22-16)23-17(9-10-21-23)13-3-7-15(20)8-4-13/h1-11H
InChIKeyRFXLHHGCHJKMKI-UHFFFAOYSA-N
XLogP5.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.28
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole (CID 3413478) is 4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole is Fc1ccc(-c2ccnn2-c2nc(-c3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is RFXLHHGCHJKMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrFN3S/c19-14-5-1-12(2-6-14)16-11-24-18(22-16)23-17(9-10-21-23)13-3-7-15(20)8-4-13/h1-11H.
What are the key properties of 4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole?
4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 400.28 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-[5-(4-fluorophenyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 3413478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).