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

C19H14BrN3S — CID 3777156

IUPAC4-(4-bromophenyl)-2-[5-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole
SMILESCc1ccc(-c2ccnn2-c2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C19H14BrN3S/c1-13-2-4-15(5-3-13)18-10-11-21-23(18)19-22-17(12-24-19)14-6-8-16(20)9-7-14/h2-12H,1H3
InChIKeyGENCSICPSYJRHT-UHFFFAOYSA-N
MW396.31 g/mol
LogP5.73
Rot. Bonds3

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

4-(4-bromophenyl)-2-[5-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 3777156) has the molecular formula C19H14BrN3S and a molecular weight of 396.31 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[5-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-[5-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID3777156
Molecular FormulaC19H14BrN3S
Molecular Weight396.31 g/mol
Exact Mass395.01
IUPAC Name4-(4-bromophenyl)-2-[5-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole
SMILESCc1ccc(-c2ccnn2-c2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C19H14BrN3S/c1-13-2-4-15(5-3-13)18-10-11-21-23(18)19-22-17(12-24-19)14-6-8-16(20)9-7-14/h2-12H,1H3
InChIKeyGENCSICPSYJRHT-UHFFFAOYSA-N
XLogP5.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.31
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromophenyl)-2-[5-(4-methylphenyl)pyrazol-1-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-bromophenyl)-2-[5-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-[5-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole (CID 3777156) is 4-(4-bromophenyl)-2-[5-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-[5-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-[5-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole is Cc1ccc(-c2ccnn2-c2nc(-c3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-[5-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is GENCSICPSYJRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3S/c1-13-2-4-15(5-3-13)18-10-11-21-23(18)19-22-17(12-24-19)14-6-8-16(20)9-7-14/h2-12H,1H3.
What are the key properties of 4-(4-bromophenyl)-2-[5-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole?
4-(4-bromophenyl)-2-[5-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 396.31 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-[5-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 3777156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).