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

C25H20FN3OS — CID 45151163

IUPAC2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H20FN3OS/c1-30-21-13-9-18(10-14-21)22-15-24(19-7-11-20(26)12-8-19)29(28-22)25-27-23(16-31-25)17-5-3-2-4-6-17/h2-14,16,24H,15H2,1H3
InChIKeyBGEQFDLBLSWCBY-UHFFFAOYSA-N
MW429.52 g/mol
LogP6.31
Rot. Bonds5

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

2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 45151163) has the molecular formula C25H20FN3OS and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID45151163
Molecular FormulaC25H20FN3OS
Molecular Weight429.52 g/mol
Exact Mass429.13
IUPAC Name2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H20FN3OS/c1-30-21-13-9-18(10-14-21)22-15-24(19-7-11-20(26)12-8-19)29(28-22)25-27-23(16-31-25)17-5-3-2-4-6-17/h2-14,16,24H,15H2,1H3
InChIKeyBGEQFDLBLSWCBY-UHFFFAOYSA-N
XLogP6.31
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole with MolForge

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Related Compounds

Abafungin
CID 159326
2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 5710390
4-{4-[(4-Methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine
CID 145704648
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 1490762
4-(4-Methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
CID 3889772
2-[5-(4-Bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 70690380
5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-thiazol-2-amine
CID 72706125
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-thiazol-2-amine
CID 72706311
N,5-dibenzyl-4-(4-methoxyphenyl)thiazol-2-amine
CID 72706819
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]thiazol-2-amine
CID 72706878
5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)thiazol-2-amine
CID 72706881
N3-(4-methoxybenzylidene)-N4-(4-methylthiazol-2-yl)-2-phenylquinazoline-3,4-(4H)-diamine (8c)
CID 126842767

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 45151163) is 2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is BGEQFDLBLSWCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3OS/c1-30-21-13-9-18(10-14-21)22-15-24(19-7-11-20(26)12-8-19)29(28-22)25-27-23(16-31-25)17-5-3-2-4-6-17/h2-14,16,24H,15H2,1H3.
What are the key properties of 2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 429.52 g/mol, XLogP of 6.31, 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-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 45151163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).