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

C22H14Cl2FN3S2 — CID 171342824

IUPAC2-[3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(N3N=C(c4cccs4)CC3c3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C22H14Cl2FN3S2/c23-14-5-8-16(17(24)10-14)20-11-18(21-2-1-9-29-21)27-28(20)22-26-19(12-30-22)13-3-6-15(25)7-4-13/h1-10,12,20H,11H2
InChIKeyYTNMOWGYRYCKTL-UHFFFAOYSA-N
MW474.41 g/mol
LogP7.67
Rot. Bonds4

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

2-[3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 171342824) has the molecular formula C22H14Cl2FN3S2 and a molecular weight of 474.41 g/mol. Its IUPAC name is 2-[3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID171342824
Molecular FormulaC22H14Cl2FN3S2
Molecular Weight474.41 g/mol
Exact Mass473.00
IUPAC Name2-[3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(N3N=C(c4cccs4)CC3c3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C22H14Cl2FN3S2/c23-14-5-8-16(17(24)10-14)20-11-18(21-2-1-9-29-21)27-28(20)22-26-19(12-30-22)13-3-6-15(25)7-4-13/h1-10,12,20H,11H2
InChIKeyYTNMOWGYRYCKTL-UHFFFAOYSA-N
XLogP7.67
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.41
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Chlorophenyl)-2-[3-(4-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 46936030
2-[5-(4-Fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 45150987
2-[5-(4-Chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 45151110
4-(4-Chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 46936029
2-[5-(4-Chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 101886904
2-[3-(4-Fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole
CID 2858591
4-(4-Bromophenyl)-2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 12982063
2-[5-(4-Methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 45150864
4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
CID 71508529
4-[5-(2-benzylsulfanyl-5-chlorothiophen-3-yl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
CID 71508530
2-[5-(4-Fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 118720873
2-[5-(4-Methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 118720874

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-[3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole (CID 171342824) is 2-[3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole is Fc1ccc(-c2csc(N3N=C(c4cccs4)CC3c3ccc(Cl)cc3Cl)n2)cc1.
What is the InChIKey of 2-[3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is YTNMOWGYRYCKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FN3S2/c23-14-5-8-16(17(24)10-14)20-11-18(21-2-1-9-29-21)27-28(20)22-26-19(12-30-22)13-3-6-15(25)7-4-13/h1-10,12,20H,11H2.
What are the key properties of 2-[3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole?
2-[3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 474.41 g/mol, XLogP of 7.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 171342824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).