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

C26H18FN3S2 — CID 2858379

IUPAC2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole
SMILESFc1ccc(C2CC(c3cccs3)=NN2c2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C26H18FN3S2/c27-21-11-9-18(10-12-21)24-15-22(25-6-3-13-31-25)29-30(24)26-28-23(16-32-26)20-8-7-17-4-1-2-5-19(17)14-20/h1-14,16,24H,15H2
InChIKeyMNSKOSAMOUNAOU-UHFFFAOYSA-N
MW455.58 g/mol
LogP7.52
Rot. Bonds4

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

2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole (PubChem CID 2858379) has the molecular formula C26H18FN3S2 and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole
PubChem CID2858379
Molecular FormulaC26H18FN3S2
Molecular Weight455.58 g/mol
Exact Mass455.09
IUPAC Name2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole
SMILESFc1ccc(C2CC(c3cccs3)=NN2c2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C26H18FN3S2/c27-21-11-9-18(10-12-21)24-15-22(25-6-3-13-31-25)29-30(24)26-28-23(16-32-26)20-8-7-17-4-1-2-5-19(17)14-20/h1-14,16,24H,15H2
InChIKeyMNSKOSAMOUNAOU-UHFFFAOYSA-N
XLogP7.52
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 57.52
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-naphthalen-2-yl-1,3-thiazole?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole (CID 2858379) is 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole is Fc1ccc(C2CC(c3cccs3)=NN2c2nc(-c3ccc4ccccc4c3)cs2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole?
The InChIKey is MNSKOSAMOUNAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3S2/c27-21-11-9-18(10-12-21)24-15-22(25-6-3-13-31-25)29-30(24)26-28-23(16-32-26)20-8-7-17-4-1-2-5-19(17)14-20/h1-14,16,24H,15H2.
What are the key properties of 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole?
2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole has a molecular weight of 455.58 g/mol, XLogP of 7.52, 4 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-naphthalen-2-yl-1,3-thiazole is sourced from PubChem (CID 2858379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).