2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole

C22H16FN3S2 — CID 45150987

IUPAC2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESFc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3cccs3)C2)cc1
InChIInChI=1S/C22H16FN3S2/c23-17-10-8-16(9-11-17)18-13-20(21-7-4-12-27-21)26(25-18)22-24-19(14-28-22)15-5-2-1-3-6-15/h1-12,14,20H,13H2
InChIKeyJLRMAEDIMRDUAS-UHFFFAOYSA-N
MW405.52 g/mol
LogP6.37
Rot. Bonds4

About 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole

2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 45150987) has the molecular formula C22H16FN3S2 and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID45150987
Molecular FormulaC22H16FN3S2
Molecular Weight405.52 g/mol
Exact Mass405.08
IUPAC Name2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESFc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3cccs3)C2)cc1
InChIInChI=1S/C22H16FN3S2/c23-17-10-8-16(9-11-17)18-13-20(21-7-4-12-27-21)26(25-18)22-24-19(14-28-22)15-5-2-1-3-6-15/h1-12,14,20H,13H2
InChIKeyJLRMAEDIMRDUAS-UHFFFAOYSA-N
XLogP6.37
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 45150987) is 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is Fc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3cccs3)C2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is JLRMAEDIMRDUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3S2/c23-17-10-8-16(9-11-17)18-13-20(21-7-4-12-27-21)26(25-18)22-24-19(14-28-22)15-5-2-1-3-6-15/h1-12,14,20H,13H2.
What are the key properties of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 405.52 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 45150987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).