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

C23H18BrN3S2 — CID 45150867

IUPAC4-(4-bromophenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(-c4ccc(Br)cc4)cs3)C(c3cccs3)C2)cc1
InChIInChI=1S/C23H18BrN3S2/c1-15-4-6-16(7-5-15)19-13-21(22-3-2-12-28-22)27(26-19)23-25-20(14-29-23)17-8-10-18(24)11-9-17/h2-12,14,21H,13H2,1H3
InChIKeyMSBXBADJSGDRRO-UHFFFAOYSA-N
MW480.46 g/mol
LogP7.30
Rot. Bonds4

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

4-(4-bromophenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole (PubChem CID 45150867) has the molecular formula C23H18BrN3S2 and a molecular weight of 480.46 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
PubChem CID45150867
Molecular FormulaC23H18BrN3S2
Molecular Weight480.46 g/mol
Exact Mass479.01
IUPAC Name4-(4-bromophenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(-c4ccc(Br)cc4)cs3)C(c3cccs3)C2)cc1
InChIInChI=1S/C23H18BrN3S2/c1-15-4-6-16(7-5-15)19-13-21(22-3-2-12-28-22)27(26-19)23-25-20(14-29-23)17-8-10-18(24)11-9-17/h2-12,14,21H,13H2,1H3
InChIKeyMSBXBADJSGDRRO-UHFFFAOYSA-N
XLogP7.30
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.46
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-bromophenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-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)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole (CID 45150867) is 4-(4-bromophenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole is Cc1ccc(C2=NN(c3nc(-c4ccc(Br)cc4)cs3)C(c3cccs3)C2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The InChIKey is MSBXBADJSGDRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3S2/c1-15-4-6-16(7-5-15)19-13-21(22-3-2-12-28-22)27(26-19)23-25-20(14-29-23)17-8-10-18(24)11-9-17/h2-12,14,21H,13H2,1H3.
What are the key properties of 4-(4-bromophenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
4-(4-bromophenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole has a molecular weight of 480.46 g/mol, XLogP of 7.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 45150867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).