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

C28H20FN3S2 — CID 2858591

IUPAC2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole
SMILESFc1ccc(C2CC(c3cccs3)=NN2c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C28H20FN3S2/c29-23-14-12-22(13-15-23)26-17-24(27-7-4-16-33-27)31-32(26)28-30-25(18-34-28)21-10-8-20(9-11-21)19-5-2-1-3-6-19/h1-16,18,26H,17H2
InChIKeyRDLMTHXAPKJOLR-UHFFFAOYSA-N
MW481.62 g/mol
LogP8.03
Rot. Bonds5

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

2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole (PubChem CID 2858591) has the molecular formula C28H20FN3S2 and a molecular weight of 481.62 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole
PubChem CID2858591
Molecular FormulaC28H20FN3S2
Molecular Weight481.62 g/mol
Exact Mass481.11
IUPAC Name2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole
SMILESFc1ccc(C2CC(c3cccs3)=NN2c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C28H20FN3S2/c29-23-14-12-22(13-15-23)26-17-24(27-7-4-16-33-27)31-32(26)28-30-25(18-34-28)21-10-8-20(9-11-21)19-5-2-1-3-6-19/h1-16,18,26H,17H2
InChIKeyRDLMTHXAPKJOLR-UHFFFAOYSA-N
XLogP8.03
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole (CID 2858591) is 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole is Fc1ccc(C2CC(c3cccs3)=NN2c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole?
The InChIKey is RDLMTHXAPKJOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN3S2/c29-23-14-12-22(13-15-23)26-17-24(27-7-4-16-33-27)31-32(26)28-30-25(18-34-28)21-10-8-20(9-11-21)19-5-2-1-3-6-19/h1-16,18,26H,17H2.
What are the key properties of 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole?
2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole has a molecular weight of 481.62 g/mol, XLogP of 8.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole is sourced from PubChem (CID 2858591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).