3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

C15H13BrN2OS — CID 2732041

IUPAC3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCc1cc(Br)ccc1N1C(=O)CSC1c1cccnc1
InChIInChI=1S/C15H13BrN2OS/c1-10-7-12(16)4-5-13(10)18-14(19)9-20-15(18)11-3-2-6-17-8-11/h2-8,15H,9H2,1H3
InChIKeyXFEBKCSKOYVWDF-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.93
Rot. Bonds2

About 3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 2732041) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID2732041
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCc1cc(Br)ccc1N1C(=O)CSC1c1cccnc1
InChIInChI=1S/C15H13BrN2OS/c1-10-7-12(16)4-5-13(10)18-14(19)9-20-15(18)11-3-2-6-17-8-11/h2-8,15H,9H2,1H3
InChIKeyXFEBKCSKOYVWDF-UHFFFAOYSA-N
XLogP3.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 2732041) is 3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is Cc1cc(Br)ccc1N1C(=O)CSC1c1cccnc1.
What is the InChIKey of 3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is XFEBKCSKOYVWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c1-10-7-12(16)4-5-13(10)18-14(19)9-20-15(18)11-3-2-6-17-8-11/h2-8,15H,9H2,1H3.
What are the key properties of 3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 349.25 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2732041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).