4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide

C26H24BrN3S — CID 126478151

IUPAC4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide
SMILESBr.Cc1ccc(-c2csc(N3N=C(c4ccccc4)CC3c3ccccc3)n2)cc1C
InChIInChI=1S/C26H23N3S.BrH/c1-18-13-14-22(15-19(18)2)24-17-30-26(27-24)29-25(21-11-7-4-8-12-21)16-23(28-29)20-9-5-3-6-10-20;/h3-15,17,25H,16H2,1-2H3;1H
InChIKeyVBHBRRJYHLZJEB-UHFFFAOYSA-N
MW490.47 g/mol
LogP7.36
Rot. Bonds4

About 4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide

4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide (PubChem CID 126478151) has the molecular formula C26H24BrN3S and a molecular weight of 490.47 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide
PubChem CID126478151
Molecular FormulaC26H24BrN3S
Molecular Weight490.47 g/mol
Exact Mass489.09
IUPAC Name4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide
SMILESBr.Cc1ccc(-c2csc(N3N=C(c4ccccc4)CC3c3ccccc3)n2)cc1C
InChIInChI=1S/C26H23N3S.BrH/c1-18-13-14-22(15-19(18)2)24-17-30-26(27-24)29-25(21-11-7-4-8-12-21)16-23(28-29)20-9-5-3-6-10-20;/h3-15,17,25H,16H2,1-2H3;1H
InChIKeyVBHBRRJYHLZJEB-UHFFFAOYSA-N
XLogP7.36
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.47
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol
CID 10764872
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole
CID 2840664
4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol
CID 136961371
4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 46936081
4-[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 2840081
2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 41009659
4-[4-[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide
CID 90484386
2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
CID 5055987
2-[(3R)-5-(2,5-dimethylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole
CID 98236272
2-[3-[2-[5-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione;hydrobromide
CID 2853614
2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 40900302
2-[5-(2,5-dimethylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-iodophenyl)-1,3-thiazole;hydrobromide
CID 2839774

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide?
The IUPAC name of 4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide (CID 126478151) is 4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide is Br.Cc1ccc(-c2csc(N3N=C(c4ccccc4)CC3c3ccccc3)n2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide?
The InChIKey is VBHBRRJYHLZJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3S.BrH/c1-18-13-14-22(15-19(18)2)24-17-30-26(27-24)29-25(21-11-7-4-8-12-21)16-23(28-29)20-9-5-3-6-10-20;/h3-15,17,25H,16H2,1-2H3;1H.
What are the key properties of 4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide?
4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide has a molecular weight of 490.47 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide is sourced from PubChem (CID 126478151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).