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

C20H21N3O2S2 — CID 5222231

IUPAC3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)CSC1c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C20H21N3O2S2/c1-25-11-6-10-22-18(24)14-27-20(22)16-13-23(15-7-3-2-4-8-15)21-19(16)17-9-5-12-26-17/h2-5,7-9,12-13,20H,6,10-11,14H2,1H3
InChIKeySRCORKFAUMLHBU-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.21
Rot. Bonds7

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

3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one (PubChem CID 5222231) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
PubChem CID5222231
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC Name3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)CSC1c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C20H21N3O2S2/c1-25-11-6-10-22-18(24)14-27-20(22)16-13-23(15-7-3-2-4-8-15)21-19(16)17-9-5-12-26-17/h2-5,7-9,12-13,20H,6,10-11,14H2,1H3
InChIKeySRCORKFAUMLHBU-UHFFFAOYSA-N
XLogP4.21
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
Morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2140148
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
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-(methoxymethyl)piperidine
CID 16188437
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(methoxymethyl)piperidine
CID 16190127
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 24981883
N,N-dimethyl-1-phenyl-3-(2-thienyl)-1H-pyrazole-4-carboxamide
CID 976339
(Z)-6-(4-oxo-5-((1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-3-yl)hexanoic acid
CID 1632449

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one (CID 5222231) is 3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one is COCCCN1C(=O)CSC1c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The InChIKey is SRCORKFAUMLHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c1-25-11-6-10-22-18(24)14-27-20(22)16-13-23(15-7-3-2-4-8-15)21-19(16)17-9-5-12-26-17/h2-5,7-9,12-13,20H,6,10-11,14H2,1H3.
What are the key properties of 3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one?
3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one has a molecular weight of 399.54 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5222231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).