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

C15H13BrFN3OS — CID 3697526

IUPAC2-(3-bromo-4-fluorophenyl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one
SMILESCc1cnc(CN2C(=O)CSC2c2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C15H13BrFN3OS/c1-9-5-19-11(6-18-9)7-20-14(21)8-22-15(20)10-2-3-13(17)12(16)4-10/h2-6,15H,7-8H2,1H3
InChIKeyLNGKVTCZTUUZBT-UHFFFAOYSA-N
MW382.26 g/mol
LogP3.46
Rot. Bonds3

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

2-(3-bromo-4-fluorophenyl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3697526) has the molecular formula C15H13BrFN3OS and a molecular weight of 382.26 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one
PubChem CID3697526
Molecular FormulaC15H13BrFN3OS
Molecular Weight382.26 g/mol
Exact Mass380.99
IUPAC Name2-(3-bromo-4-fluorophenyl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one
SMILESCc1cnc(CN2C(=O)CSC2c2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C15H13BrFN3OS/c1-9-5-19-11(6-18-9)7-20-14(21)8-22-15(20)10-2-3-13(17)12(16)4-10/h2-6,15H,7-8H2,1H3
InChIKeyLNGKVTCZTUUZBT-UHFFFAOYSA-N
XLogP3.46
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one (CID 3697526) is 2-(3-bromo-4-fluorophenyl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one is Cc1cnc(CN2C(=O)CSC2c2ccc(F)c(Br)c2)cn1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is LNGKVTCZTUUZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3OS/c1-9-5-19-11(6-18-9)7-20-14(21)8-22-15(20)10-2-3-13(17)12(16)4-10/h2-6,15H,7-8H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one?
2-(3-bromo-4-fluorophenyl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 382.26 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3697526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).