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

C24H20FN3O2S2 — CID 3112094

IUPAC2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCOc1ccc(C2CC(c3cccs3)=NN2c2nc(-c3ccc(F)cc3)cs2)cc1OC
InChIInChI=1S/C24H20FN3O2S2/c1-29-21-10-7-16(12-22(21)30-2)20-13-18(23-4-3-11-31-23)27-28(20)24-26-19(14-32-24)15-5-8-17(25)9-6-15/h3-12,14,20H,13H2,1-2H3
InChIKeyOGUYZLAMJLLZQK-UHFFFAOYSA-N
MW465.58 g/mol
LogP6.38
Rot. Bonds6

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

2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 3112094) has the molecular formula C24H20FN3O2S2 and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID3112094
Molecular FormulaC24H20FN3O2S2
Molecular Weight465.58 g/mol
Exact Mass465.10
IUPAC Name2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCOc1ccc(C2CC(c3cccs3)=NN2c2nc(-c3ccc(F)cc3)cs2)cc1OC
InChIInChI=1S/C24H20FN3O2S2/c1-29-21-10-7-16(12-22(21)30-2)20-13-18(23-4-3-11-31-23)27-28(20)24-26-19(14-32-24)15-5-8-17(25)9-6-15/h3-12,14,20H,13H2,1-2H3
InChIKeyOGUYZLAMJLLZQK-UHFFFAOYSA-N
XLogP6.38
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-Bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 70690380
2-[5-(3,4-Dimethoxy-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-4-(4-fluoro-phenyl)-thiazole
CID 12004690
1-{2-[5-(3,4-dimethoxyphenyl)-3-thien-2-yl-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl}ethanone
CID 16193282
4-(4-Methoxyphenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 45150869
2-[5-(4-Chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 45151115
2-[3-(1,3-Benzodioxol-5-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 71508797
2-[3-(1,3-Benzodioxol-5-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-bromophenyl)-1,3-thiazole
CID 71508798
2-[5-(4-Bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 71508888
4-[2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol
CID 118728575
2-[5-(3,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
CID 17589777
2-[5-(3,4-Dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 46936027
2-[5-(2-Methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 156784870

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole (CID 3112094) is 2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole is COc1ccc(C2CC(c3cccs3)=NN2c2nc(-c3ccc(F)cc3)cs2)cc1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is OGUYZLAMJLLZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2S2/c1-29-21-10-7-16(12-22(21)30-2)20-13-18(23-4-3-11-31-23)27-28(20)24-26-19(14-32-24)15-5-8-17(25)9-6-15/h3-12,14,20H,13H2,1-2H3.
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole?
2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 465.58 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 3112094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).