2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole

C24H16BrN3S2 — CID 56589574

IUPAC2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Sc2c(-c3ccc(Br)cc3)nc3ccccc3c2-c2ccccc2)s1
InChIInChI=1S/C24H16BrN3S2/c1-15-27-28-24(29-15)30-23-21(16-7-3-2-4-8-16)19-9-5-6-10-20(19)26-22(23)17-11-13-18(25)14-12-17/h2-14H,1H3
InChIKeyKJSJIULAKFFBSV-UHFFFAOYSA-N
MW490.45 g/mol
LogP7.64
Rot. Bonds4

About 2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole

2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole (PubChem CID 56589574) has the molecular formula C24H16BrN3S2 and a molecular weight of 490.45 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole
PubChem CID56589574
Molecular FormulaC24H16BrN3S2
Molecular Weight490.45 g/mol
Exact Mass489.00
IUPAC Name2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Sc2c(-c3ccc(Br)cc3)nc3ccccc3c2-c2ccccc2)s1
InChIInChI=1S/C24H16BrN3S2/c1-15-27-28-24(29-15)30-23-21(16-7-3-2-4-8-16)19-9-5-6-10-20(19)26-22(23)17-11-13-18(25)14-12-17/h2-14H,1H3
InChIKeyKJSJIULAKFFBSV-UHFFFAOYSA-N
XLogP7.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.45
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole 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-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole (CID 56589574) is 2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole is Cc1nnc(Sc2c(-c3ccc(Br)cc3)nc3ccccc3c2-c2ccccc2)s1.
What is the InChIKey of 2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole?
The InChIKey is KJSJIULAKFFBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN3S2/c1-15-27-28-24(29-15)30-23-21(16-7-3-2-4-8-16)19-9-5-6-10-20(19)26-22(23)17-11-13-18(25)14-12-17/h2-14H,1H3.
What are the key properties of 2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole?
2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole has a molecular weight of 490.45 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-4-phenylquinolin-3-yl]sulfanyl-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 56589574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).