4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole

C27H24ClN3S — CID 46936081

IUPAC4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
SMILESCc1ccc(C2CC(c3ccc(C)c(C)c3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C27H24ClN3S/c1-17-4-7-21(8-5-17)26-15-24(22-9-6-18(2)19(3)14-22)30-31(26)27-29-25(16-32-27)20-10-12-23(28)13-11-20/h4-14,16,26H,15H2,1-3H3
InChIKeyHNTQVCRSRSJXFB-UHFFFAOYSA-N
MW458.03 g/mol
LogP7.74
Rot. Bonds4

About 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole

4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole (PubChem CID 46936081) has the molecular formula C27H24ClN3S and a molecular weight of 458.03 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
PubChem CID46936081
Molecular FormulaC27H24ClN3S
Molecular Weight458.03 g/mol
Exact Mass457.14
IUPAC Name4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
SMILESCc1ccc(C2CC(c3ccc(C)c(C)c3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C27H24ClN3S/c1-17-4-7-21(8-5-17)26-15-24(22-9-6-18(2)19(3)14-22)30-31(26)27-29-25(16-32-27)20-10-12-23(28)13-11-20/h4-14,16,26H,15H2,1-3H3
InChIKeyHNTQVCRSRSJXFB-UHFFFAOYSA-N
XLogP7.74
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.03
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole (CID 46936081) is 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole is Cc1ccc(C2CC(c3ccc(C)c(C)c3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The InChIKey is HNTQVCRSRSJXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3S/c1-17-4-7-21(8-5-17)26-15-24(22-9-6-18(2)19(3)14-22)30-31(26)27-29-25(16-32-27)20-10-12-23(28)13-11-20/h4-14,16,26H,15H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole has a molecular weight of 458.03 g/mol, XLogP of 7.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 46936081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).