3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

C21H21N3O3S — CID 2867514

IUPAC3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C21H21N3O3S/c1-14-19(20(26)24(22(14)2)16-7-5-4-6-8-16)23-18(25)13-28-21(23)15-9-11-17(27-3)12-10-15/h4-12,21H,13H2,1-3H3
InChIKeyNZVDGSVUWGPNIF-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.27
Rot. Bonds4

About 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 2867514) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID2867514
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C21H21N3O3S/c1-14-19(20(26)24(22(14)2)16-7-5-4-6-8-16)23-18(25)13-28-21(23)15-9-11-17(27-3)12-10-15/h4-12,21H,13H2,1-3H3
InChIKeyNZVDGSVUWGPNIF-UHFFFAOYSA-N
XLogP3.27
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-anilino-2-oxoethyl)sulfanyl]-N-(4-methoxybenzyl)acetamide
CID 578565
2-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4519035
3-(4-Fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 5080198
4-Thiazolidinone, 3-(4-methoxyphenyl)-2-phenyl-
CID 2796543
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 2874023
2-(4-Methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 2840254
2-(3,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazolidin-4-one
CID 4577762
2-(4-Methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
4-{[(2E)-3-allyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 981927
4-[(3-tert-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 988963
2-(2,4-dimethoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazolidin-4-one
CID 3244170
2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 5845808

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 2867514) is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is NZVDGSVUWGPNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14-19(20(26)24(22(14)2)16-7-5-4-6-8-16)23-18(25)13-28-21(23)15-9-11-17(27-3)12-10-15/h4-12,21H,13H2,1-3H3.
What are the key properties of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 395.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2867514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).