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

C20H18BrN3OS — CID 156784856

IUPAC2-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccccc1C1=NN(c2nc(C)cs2)C(c2ccc(Br)cc2)C1
InChIInChI=1S/C20H18BrN3OS/c1-13-12-26-20(22-13)24-18(14-7-9-15(21)10-8-14)11-17(23-24)16-5-3-4-6-19(16)25-2/h3-10,12,18H,11H2,1-2H3
InChIKeyWLLJPBMXZQOEPR-UHFFFAOYSA-N
MW428.36 g/mol
LogP5.58
Rot. Bonds4

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

2-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole (PubChem CID 156784856) has the molecular formula C20H18BrN3OS and a molecular weight of 428.36 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
PubChem CID156784856
Molecular FormulaC20H18BrN3OS
Molecular Weight428.36 g/mol
Exact Mass427.04
IUPAC Name2-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccccc1C1=NN(c2nc(C)cs2)C(c2ccc(Br)cc2)C1
InChIInChI=1S/C20H18BrN3OS/c1-13-12-26-20(22-13)24-18(14-7-9-15(21)10-8-14)11-17(23-24)16-5-3-4-6-19(16)25-2/h3-10,12,18H,11H2,1-2H3
InChIKeyWLLJPBMXZQOEPR-UHFFFAOYSA-N
XLogP5.58
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
CID 3889772
2-[5-(4-Bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 70690380
4-(4-Methoxyphenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 45150869
2-[3-(1,3-Benzodioxol-5-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 71508797
2-[3-(1,3-Benzodioxol-5-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-bromophenyl)-1,3-thiazole
CID 71508798
2-[5-(4-Bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 71508888
4-(4-Bromophenyl)-2-[5-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 71508889
2-[5-(3,4-Dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 46936027
2-[2-[4-(3-Bromophenyl)-1,3-thiazol-2-yl]-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 155563852
2-[3-(4-Bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 156784855
2-[5-(2-Methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 156784859
2-[5-(2-Methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 156784870

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole (CID 156784856) is 2-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole is COc1ccccc1C1=NN(c2nc(C)cs2)C(c2ccc(Br)cc2)C1.
What is the InChIKey of 2-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is WLLJPBMXZQOEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3OS/c1-13-12-26-20(22-13)24-18(14-7-9-15(21)10-8-14)11-17(23-24)16-5-3-4-6-19(16)25-2/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 2-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
2-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 428.36 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 156784856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).