2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole

C26H20BrN3O2S — CID 19586860

IUPAC2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole
SMILESCOc1ccccc1-c1nn(-c2nc(-c3ccccc3)cs2)c(-c2ccccc2OC)c1Br
InChIInChI=1S/C26H20BrN3O2S/c1-31-21-14-8-6-12-18(21)24-23(27)25(19-13-7-9-15-22(19)32-2)30(29-24)26-28-20(16-33-26)17-10-4-3-5-11-17/h3-16H,1-2H3
InChIKeyHTZOEDCYWVSHAE-UHFFFAOYSA-N
MW518.44 g/mol
LogP7.11
Rot. Bonds6

About 2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole

2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole (PubChem CID 19586860) has the molecular formula C26H20BrN3O2S and a molecular weight of 518.44 g/mol. Its IUPAC name is 2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole
PubChem CID19586860
Molecular FormulaC26H20BrN3O2S
Molecular Weight518.44 g/mol
Exact Mass517.05
IUPAC Name2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole
SMILESCOc1ccccc1-c1nn(-c2nc(-c3ccccc3)cs2)c(-c2ccccc2OC)c1Br
InChIInChI=1S/C26H20BrN3O2S/c1-31-21-14-8-6-12-18(21)24-23(27)25(19-13-7-9-15-22(19)32-2)30(29-24)26-28-20(16-33-26)17-10-4-3-5-11-17/h3-16H,1-2H3
InChIKeyHTZOEDCYWVSHAE-UHFFFAOYSA-N
XLogP7.11
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.44
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-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-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole (CID 19586860) is 2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole is COc1ccccc1-c1nn(-c2nc(-c3ccccc3)cs2)c(-c2ccccc2OC)c1Br.
What is the InChIKey of 2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole?
The InChIKey is HTZOEDCYWVSHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrN3O2S/c1-31-21-14-8-6-12-18(21)24-23(27)25(19-13-7-9-15-22(19)32-2)30(29-24)26-28-20(16-33-26)17-10-4-3-5-11-17/h3-16H,1-2H3.
What are the key properties of 2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole?
2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole has a molecular weight of 518.44 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 19586860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).