2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

C25H23N3O2S — CID 2874571

IUPAC2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2C2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C25H23N3O2S/c1-2-18-10-12-19(13-11-18)24-22(16-28(26-24)20-7-4-3-5-8-20)25-27(23(29)17-31-25)15-21-9-6-14-30-21/h3-14,16,25H,2,15,17H2,1H3
InChIKeyGGSRDMBNLGROGN-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.47
Rot. Bonds6

About 2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 2874571) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID2874571
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2C2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C25H23N3O2S/c1-2-18-10-12-19(13-11-18)24-22(16-28(26-24)20-7-4-3-5-8-20)25-27(23(29)17-31-25)15-21-9-6-14-30-21/h3-14,16,25H,2,15,17H2,1H3
InChIKeyGGSRDMBNLGROGN-UHFFFAOYSA-N
XLogP5.47
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 2874571) is 2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is CCc1ccc(-c2nn(-c3ccccc3)cc2C2SCC(=O)N2Cc2ccco2)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is GGSRDMBNLGROGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-2-18-10-12-19(13-11-18)24-22(16-28(26-24)20-7-4-3-5-8-20)25-27(23(29)17-31-25)15-21-9-6-14-30-21/h3-14,16,25H,2,15,17H2,1H3.
What are the key properties of 2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 429.55 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2874571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).