2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole

C20H18BrN3S — CID 156784857

IUPAC2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(C)cs3)C(c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C20H18BrN3S/c1-13-3-5-15(6-4-13)18-11-19(16-7-9-17(21)10-8-16)24(23-18)20-22-14(2)12-25-20/h3-10,12,19H,11H2,1-2H3
InChIKeyYMKWXKSMAZOMGR-UHFFFAOYSA-N
MW412.36 g/mol
LogP5.88
Rot. Bonds3

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

2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole (PubChem CID 156784857) has the molecular formula C20H18BrN3S and a molecular weight of 412.36 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
PubChem CID156784857
Molecular FormulaC20H18BrN3S
Molecular Weight412.36 g/mol
Exact Mass411.04
IUPAC Name2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(C)cs3)C(c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C20H18BrN3S/c1-13-3-5-15(6-4-13)18-11-19(16-7-9-17(21)10-8-16)24(23-18)20-22-14(2)12-25-20/h3-10,12,19H,11H2,1-2H3
InChIKeyYMKWXKSMAZOMGR-UHFFFAOYSA-N
XLogP5.88
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.36
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-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 2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole (CID 156784857) is 2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole is Cc1ccc(C2=NN(c3nc(C)cs3)C(c3ccc(Br)cc3)C2)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is YMKWXKSMAZOMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3S/c1-13-3-5-15(6-4-13)18-11-19(16-7-9-17(21)10-8-16)24(23-18)20-22-14(2)12-25-20/h3-10,12,19H,11H2,1-2H3.
What are the key properties of 2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 412.36 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 156784857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).