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

C14H15N3O2S — CID 5016061

IUPAC2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one
SMILESCc1cnc(CN2C(=O)CSC2c2ccc(C)o2)cn1
InChIInChI=1S/C14H15N3O2S/c1-9-5-16-11(6-15-9)7-17-13(18)8-20-14(17)12-4-3-10(2)19-12/h3-6,14H,7-8H2,1-2H3
InChIKeyXOWNHFQTOQZCSZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.46
Rot. Bonds3

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

2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one (PubChem CID 5016061) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one
PubChem CID5016061
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one
SMILESCc1cnc(CN2C(=O)CSC2c2ccc(C)o2)cn1
InChIInChI=1S/C14H15N3O2S/c1-9-5-16-11(6-15-9)7-17-13(18)8-20-14(17)12-4-3-10(2)19-12/h3-6,14H,7-8H2,1-2H3
InChIKeyXOWNHFQTOQZCSZ-UHFFFAOYSA-N
XLogP2.46
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one (CID 5016061) is 2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one is Cc1cnc(CN2C(=O)CSC2c2ccc(C)o2)cn1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is XOWNHFQTOQZCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-5-16-11(6-15-9)7-17-13(18)8-20-14(17)12-4-3-10(2)19-12/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one?
2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 289.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 5016061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).