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

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Related Compounds

4-phenyl-2-(1H-pyrazol-1-yl)-1,3-thiazole
CID 1481751
Thiazole, 2-(3,5-dimethyl-1-pyrazolyl)-4-phenyl-
CID 388615
1H-Pyrazol-5-amine, 3-(4-bromophenyl)-1-(4-(4-bromophenyl)-2-thiazolyl)-
CID 100592
N,N-diethyl-4-[(E)-[1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydrocyclopenta[d]pyrazol-6-ylidene]methyl]aniline
CID 6146424
2-(4-Butylphenyl)-4-methyl-5-(2-pyrazol-1-ylpyrimidin-4-yl)-1,3-thiazole
CID 127043105
2-[3-(4-Bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 156784857
N-[(E)-(4-bromo-1H-pyrazol-5-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 135473024
1H-Pyrazol-5-amine, 3-(4-bromophenyl)-1-(4-phenyl-2-thiazolyl)-
CID 1498364
1H-Pyrazol-5-amine, 3-(4-bromophenyl)-1-(4-(4-methylphenyl)-2-thiazolyl)-
CID 1498369
1H-Pyrazol-5-amine, 1-(4-(4-bromophenyl)-2-thiazolyl)-3-(4-methylphenyl)-
CID 1498378
1H-Pyrazol-5-amine, 1-(4-(4-bromophenyl)-2-thiazolyl)-3-phenyl-
CID 1498383
4-(2-Fluorophenyl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 4846643

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).