2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide

C25H25N5O3S — CID 2937226

IUPAC2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESC=CCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C25H25N5O3S/c1-4-15-29-23(32)20(16-21(31)26-18-11-7-5-8-12-18)34-25(29)27-22-17(2)28(3)30(24(22)33)19-13-9-6-10-14-19/h4-14,20H,1,15-16H2,2-3H3,(H,26,31)/b27-25-
InChIKeyDYGYXSOVQRKBPI-RFBIWTDZSA-N
MW475.57 g/mol
LogP3.63
Rot. Bonds7

About 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 2937226) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID2937226
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESC=CCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C25H25N5O3S/c1-4-15-29-23(32)20(16-21(31)26-18-11-7-5-8-12-18)34-25(29)27-22-17(2)28(3)30(24(22)33)19-13-9-6-10-14-19/h4-14,20H,1,15-16H2,2-3H3,(H,26,31)/b27-25-
InChIKeyDYGYXSOVQRKBPI-RFBIWTDZSA-N
XLogP3.63
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(5R)-2-(2,4-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 1299590
N-(4-bromophenyl)-2-[(5S)-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-[(2S)-pentan-2-yl]-1,3-thiazolidin-5-yl]acetamide
CID 98385648
N-(4-acetylphenyl)-2-(4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 42990608
N-(4-methylphenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715863
2-[[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 7025639
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 1218013
N-(4-fluorophenyl)-2-(4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 42990606
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 1300289
N-(2,6-dimethylphenyl)-2-[(5S)-4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 2185030
N-(4-bromophenyl)-2-[(5R)-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135933871
2-[(2Z)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 18477647
N-(3,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 42994073

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 2937226) is 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide is C=CCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is DYGYXSOVQRKBPI-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-4-15-29-23(32)20(16-21(31)26-18-11-7-5-8-12-18)34-25(29)27-22-17(2)28(3)30(24(22)33)19-13-9-6-10-14-19/h4-14,20H,1,15-16H2,2-3H3,(H,26,31)/b27-25-.
What are the key properties of 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 475.57 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 2937226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).