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

C24H17ClFN3S — CID 35410188

IUPAC2-[(3S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESFc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C24H17ClFN3S/c25-19-10-6-17(7-11-19)21-14-23(18-8-12-20(26)13-9-18)29(28-21)24-27-22(15-30-24)16-4-2-1-3-5-16/h1-13,15,23H,14H2/t23-/m0/s1
InChIKeyKZIOUXMNYJUAFZ-QHCPKHFHSA-N
MW433.94 g/mol
LogP6.96
Rot. Bonds4

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

2-[(3S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 35410188) has the molecular formula C24H17ClFN3S and a molecular weight of 433.94 g/mol. Its IUPAC name is 2-[(3S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID35410188
Molecular FormulaC24H17ClFN3S
Molecular Weight433.94 g/mol
Exact Mass433.08
IUPAC Name2-[(3S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESFc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C24H17ClFN3S/c25-19-10-6-17(7-11-19)21-14-23(18-8-12-20(26)13-9-18)29(28-21)24-27-22(15-30-24)16-4-2-1-3-5-16/h1-13,15,23H,14H2/t23-/m0/s1
InChIKeyKZIOUXMNYJUAFZ-QHCPKHFHSA-N
XLogP6.96
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[(3S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 35410188) is 2-[(3S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[(3S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[(3S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is Fc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-[(3S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is KZIOUXMNYJUAFZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H17ClFN3S/c25-19-10-6-17(7-11-19)21-14-23(18-8-12-20(26)13-9-18)29(28-21)24-27-22(15-30-24)16-4-2-1-3-5-16/h1-13,15,23H,14H2/t23-/m0/s1.
What are the key properties of 2-[(3S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[(3S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 433.94 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 35410188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).