3-benzyl-2-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one

C24H21N3O2S — CID 2873894

IUPAC3-benzyl-2-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C2SCC(=O)N2Cc2ccccc2)o1
InChIInChI=1S/C24H21N3O2S/c1-17-12-13-21(29-17)23-20(15-27(25-23)19-10-6-3-7-11-19)24-26(22(28)16-30-24)14-18-8-4-2-5-9-18/h2-13,15,24H,14,16H2,1H3
InChIKeyQFGUMVBMVJRYGI-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.21
Rot. Bonds5

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

3-benzyl-2-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one (PubChem CID 2873894) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-benzyl-2-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
PubChem CID2873894
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name3-benzyl-2-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C2SCC(=O)N2Cc2ccccc2)o1
InChIInChI=1S/C24H21N3O2S/c1-17-12-13-21(29-17)23-20(15-27(25-23)19-10-6-3-7-11-19)24-26(22(28)16-30-24)14-18-8-4-2-5-9-18/h2-13,15,24H,14,16H2,1H3
InChIKeyQFGUMVBMVJRYGI-UHFFFAOYSA-N
XLogP5.21
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one (CID 2873894) is 3-benzyl-2-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one is Cc1ccc(-c2nn(-c3ccccc3)cc2C2SCC(=O)N2Cc2ccccc2)o1.
What is the InChIKey of 3-benzyl-2-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one?
The InChIKey is QFGUMVBMVJRYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-17-12-13-21(29-17)23-20(15-27(25-23)19-10-6-3-7-11-19)24-26(22(28)16-30-24)14-18-8-4-2-5-9-18/h2-13,15,24H,14,16H2,1H3.
What are the key properties of 3-benzyl-2-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one?
3-benzyl-2-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one has a molecular weight of 415.52 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2873894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).