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

C23H18FN3O2S — CID 1353046

IUPAC(2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1Cc1ccco1
InChIInChI=1S/C23H18FN3O2S/c24-17-10-8-16(9-11-17)22-20(14-27(25-22)18-5-2-1-3-6-18)23-26(21(28)15-30-23)13-19-7-4-12-29-19/h1-12,14,23H,13,15H2/t23-/m0/s1
InChIKeyYYVYQYJYIYDFEU-QHCPKHFHSA-N
MW419.48 g/mol
LogP5.05
Rot. Bonds5

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

(2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 1353046) has the molecular formula C23H18FN3O2S and a molecular weight of 419.48 g/mol. Its IUPAC name is (2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID1353046
Molecular FormulaC23H18FN3O2S
Molecular Weight419.48 g/mol
Exact Mass419.11
IUPAC Name(2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1Cc1ccco1
InChIInChI=1S/C23H18FN3O2S/c24-17-10-8-16(9-11-17)22-20(14-27(25-22)18-5-2-1-3-6-18)23-26(21(28)15-30-23)13-19-7-4-12-29-19/h1-12,14,23H,13,15H2/t23-/m0/s1
InChIKeyYYVYQYJYIYDFEU-QHCPKHFHSA-N
XLogP5.05
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 1353046) is (2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1Cc1ccco1.
What is the InChIKey of (2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is YYVYQYJYIYDFEU-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H18FN3O2S/c24-17-10-8-16(9-11-17)22-20(14-27(25-22)18-5-2-1-3-6-18)23-26(21(28)15-30-23)13-19-7-4-12-29-19/h1-12,14,23H,13,15H2/t23-/m0/s1.
What are the key properties of (2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
(2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 419.48 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1353046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).