2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one

C12H13N3O2S — CID 23769430

IUPAC2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one
SMILESCc1cc(N2C(=O)CSC2c2ccc(C)o2)n[nH]1
InChIInChI=1S/C12H13N3O2S/c1-7-5-10(14-13-7)15-11(16)6-18-12(15)9-4-3-8(2)17-9/h3-5,12H,6H2,1-2H3,(H,13,14)
InChIKeyLAISMJIZUTURCB-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.40
Rot. Bonds2

About 2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one

2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one (PubChem CID 23769430) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one
PubChem CID23769430
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one
SMILESCc1cc(N2C(=O)CSC2c2ccc(C)o2)n[nH]1
InChIInChI=1S/C12H13N3O2S/c1-7-5-10(14-13-7)15-11(16)6-18-12(15)9-4-3-8(2)17-9/h3-5,12H,6H2,1-2H3,(H,13,14)
InChIKeyLAISMJIZUTURCB-UHFFFAOYSA-N
XLogP2.40
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one (CID 23769430) is 2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one is Cc1cc(N2C(=O)CSC2c2ccc(C)o2)n[nH]1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one?
The InChIKey is LAISMJIZUTURCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-5-10(14-13-7)15-11(16)6-18-12(15)9-4-3-8(2)17-9/h3-5,12H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one?
2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one has a molecular weight of 263.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-3-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23769430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).