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

C22H16FN3OS — CID 70692542

IUPAC2-[5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESFc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccco3)C2)cc1
InChIInChI=1S/C22H16FN3OS/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
InChIKeyYCESAFNTSPJGHO-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.90
Rot. Bonds4

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

2-[5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 70692542) has the molecular formula C22H16FN3OS and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID70692542
Molecular FormulaC22H16FN3OS
Molecular Weight389.46 g/mol
Exact Mass389.10
IUPAC Name2-[5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESFc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccco3)C2)cc1
InChIInChI=1S/C22H16FN3OS/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
InChIKeyYCESAFNTSPJGHO-UHFFFAOYSA-N
XLogP5.90
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.90
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-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 70692542) is 2-[5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is Fc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccco3)C2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is YCESAFNTSPJGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3OS/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-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 389.46 g/mol, XLogP of 5.90, 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-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 70692542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).