2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one

C20H17BrN4OS — CID 3250533

IUPAC2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one
SMILESCc1cnc(CN2C(=O)CSC2c2cnccc2-c2ccc(Br)cc2)cn1
InChIInChI=1S/C20H17BrN4OS/c1-13-8-24-16(9-23-13)11-25-19(26)12-27-20(25)18-10-22-7-6-17(18)14-2-4-15(21)5-3-14/h2-10,20H,11-12H2,1H3
InChIKeyQPIYPUKUFXUXEB-UHFFFAOYSA-N
MW441.35 g/mol
LogP4.38
Rot. Bonds4

About 2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one

2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3250533) has the molecular formula C20H17BrN4OS and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one
PubChem CID3250533
Molecular FormulaC20H17BrN4OS
Molecular Weight441.35 g/mol
Exact Mass440.03
IUPAC Name2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one
SMILESCc1cnc(CN2C(=O)CSC2c2cnccc2-c2ccc(Br)cc2)cn1
InChIInChI=1S/C20H17BrN4OS/c1-13-8-24-16(9-23-13)11-25-19(26)12-27-20(25)18-10-22-7-6-17(18)14-2-4-15(21)5-3-14/h2-10,20H,11-12H2,1H3
InChIKeyQPIYPUKUFXUXEB-UHFFFAOYSA-N
XLogP4.38
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one 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-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one (CID 3250533) is 2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one is Cc1cnc(CN2C(=O)CSC2c2cnccc2-c2ccc(Br)cc2)cn1.
What is the InChIKey of 2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is QPIYPUKUFXUXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4OS/c1-13-8-24-16(9-23-13)11-25-19(26)12-27-20(25)18-10-22-7-6-17(18)14-2-4-15(21)5-3-14/h2-10,20H,11-12H2,1H3.
What are the key properties of 2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one?
2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 441.35 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3250533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).