2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete

C23H16ClF2N3S — CID 71722045

IUPAC2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete
SMILESFc1cccc(F)c1C1CC(c2ccccc2)=NN1C1=NC(c2ccc(Cl)cc2)S1
InChIInChI=1S/C23H16ClF2N3S/c24-16-11-9-15(10-12-16)22-27-23(30-22)29-20(21-17(25)7-4-8-18(21)26)13-19(28-29)14-5-2-1-3-6-14/h1-12,20,22H,13H2
InChIKeyXKLRBFQNPLLWLO-UHFFFAOYSA-N
MW439.92 g/mol
LogP6.57
Rot. Bonds3

About 2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete

2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete (PubChem CID 71722045) has the molecular formula C23H16ClF2N3S and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete
PubChem CID71722045
Molecular FormulaC23H16ClF2N3S
Molecular Weight439.92 g/mol
Exact Mass439.07
IUPAC Name2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete
SMILESFc1cccc(F)c1C1CC(c2ccccc2)=NN1C1=NC(c2ccc(Cl)cc2)S1
InChIInChI=1S/C23H16ClF2N3S/c24-16-11-9-15(10-12-16)22-27-23(30-22)29-20(21-17(25)7-4-8-18(21)26)13-19(28-29)14-5-2-1-3-6-14/h1-12,20,22H,13H2
InChIKeyXKLRBFQNPLLWLO-UHFFFAOYSA-N
XLogP6.57
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.92
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57396640
2-[5-(4-Chlorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57393966
2-[3-(4-Chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57397513
2-[5-(4-Chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57400944
2-[3,5-Bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57400945
2-[5-(4-Chlorophenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole
CID 90676751
2-[5-(4-Chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole
CID 90676762
2-[5-(4-Chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57390421
2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57396641
(5E)-5-benzylidene-2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 76320016
2-(2,4-dichlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete
CID 76324103
4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-phenyl-2H-1,3-thiazete
CID 76324104

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete?
The IUPAC name of 2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete (CID 71722045) is 2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete?
The canonical SMILES for 2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete is Fc1cccc(F)c1C1CC(c2ccccc2)=NN1C1=NC(c2ccc(Cl)cc2)S1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete?
The InChIKey is XKLRBFQNPLLWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N3S/c24-16-11-9-15(10-12-16)22-27-23(30-22)29-20(21-17(25)7-4-8-18(21)26)13-19(28-29)14-5-2-1-3-6-14/h1-12,20,22H,13H2.
What are the key properties of 2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete?
2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete has a molecular weight of 439.92 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[3-(2,6-difluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2H-1,3-thiazete is sourced from PubChem (CID 71722045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).