3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one

C18H21N3OS — CID 3743315

IUPAC3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(C2SCC(=O)N2Cc2cnc(C)cn2)c(C)c1
InChIInChI=1S/C18H21N3OS/c1-11-5-12(2)17(13(3)6-11)18-21(16(22)10-23-18)9-15-8-19-14(4)7-20-15/h5-8,18H,9-10H2,1-4H3
InChIKeyWJFRWJGVGWBSBD-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.48
Rot. Bonds3

About 3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one

3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3743315) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
PubChem CID3743315
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(C2SCC(=O)N2Cc2cnc(C)cn2)c(C)c1
InChIInChI=1S/C18H21N3OS/c1-11-5-12(2)17(13(3)6-11)18-21(16(22)10-23-18)9-15-8-19-14(4)7-20-15/h5-8,18H,9-10H2,1-4H3
InChIKeyWJFRWJGVGWBSBD-UHFFFAOYSA-N
XLogP3.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one (CID 3743315) is 3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one is Cc1cc(C)c(C2SCC(=O)N2Cc2cnc(C)cn2)c(C)c1.
What is the InChIKey of 3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is WJFRWJGVGWBSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-11-5-12(2)17(13(3)6-11)18-21(16(22)10-23-18)9-15-8-19-14(4)7-20-15/h5-8,18H,9-10H2,1-4H3.
What are the key properties of 3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 327.45 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylpyrazin-2-yl)methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3743315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).