3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one

C23H19N3OS2 — CID 2874794

IUPAC3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cn(-c3ccccc3)nc2-c2cccs2)N1Cc1ccccc1
InChIInChI=1S/C23H19N3OS2/c27-21-16-29-23(25(21)14-17-8-3-1-4-9-17)19-15-26(18-10-5-2-6-11-18)24-22(19)20-12-7-13-28-20/h1-13,15,23H,14,16H2
InChIKeyBHNXHKCSCDJZSA-UHFFFAOYSA-N
MW417.56 g/mol
LogP5.38
Rot. Bonds5

About 3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one

3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one (PubChem CID 2874794) has the molecular formula C23H19N3OS2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
PubChem CID2874794
Molecular FormulaC23H19N3OS2
Molecular Weight417.56 g/mol
Exact Mass417.10
IUPAC Name3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cn(-c3ccccc3)nc2-c2cccs2)N1Cc1ccccc1
InChIInChI=1S/C23H19N3OS2/c27-21-16-29-23(25(21)14-17-8-3-1-4-9-17)19-15-26(18-10-5-2-6-11-18)24-22(19)20-12-7-13-28-20/h1-13,15,23H,14,16H2
InChIKeyBHNXHKCSCDJZSA-UHFFFAOYSA-N
XLogP5.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.56
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

((5Z)-4-Oxo-5-{[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-YL]methylene}-2-thioxo-1,3-thiazolidin-3-YL)acetic acid
CID 5933485
3-[(5Z)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 1905127
4-[(5Z)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CID 2135098
(4-Phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2312348
4-{5-[3-(4-Methylphenyl)-1-phenylpyrazol-4-yl]-3-(2-thienyl)(2-pyrazolinyl)}-4-oxobutanoic acid
CID 3749369
Antiviral Agent
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6-[(5E)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 1632447
(E)-N-Allyl-2-cyano-3-(1-phenyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-acrylamide
CID 1902746
4-{3-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]acryloyl}morpholine
CID 2176100
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 24981883
3-(1-Phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one (CID 2874794) is 3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2cn(-c3ccccc3)nc2-c2cccs2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The InChIKey is BHNXHKCSCDJZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS2/c27-21-16-29-23(25(21)14-17-8-3-1-4-9-17)19-15-26(18-10-5-2-6-11-18)24-22(19)20-12-7-13-28-20/h1-13,15,23H,14,16H2.
What are the key properties of 3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one has a molecular weight of 417.56 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2874794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).