N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide

C24H23N5O2S — CID 21235061

IUPACN-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\Cc2cccnc2)N(Cc2cccnc2)C1=O)NCc1ccccc1
InChIInChI=1S/C24H23N5O2S/c30-22(27-15-18-6-2-1-3-7-18)12-21-23(31)29(17-20-9-5-11-26-14-20)24(32-21)28-16-19-8-4-10-25-13-19/h1-11,13-14,21H,12,15-17H2,(H,27,30)/b28-24-
InChIKeyHSQQJHKXCBODDM-COOPMVRXSA-N
MW445.55 g/mol
LogP3.18
Rot. Bonds8

About N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide

N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 21235061) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide
PubChem CID21235061
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC NameN-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\Cc2cccnc2)N(Cc2cccnc2)C1=O)NCc1ccccc1
InChIInChI=1S/C24H23N5O2S/c30-22(27-15-18-6-2-1-3-7-18)12-21-23(31)29(17-20-9-5-11-26-14-20)24(32-21)28-16-19-8-4-10-25-13-19/h1-11,13-14,21H,12,15-17H2,(H,27,30)/b28-24-
InChIKeyHSQQJHKXCBODDM-COOPMVRXSA-N
XLogP3.18
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R)-2-(2,5-dimethylphenyl)imino-4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 2425799
N-benzyl-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 4072021
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide
CID 3659852
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
CID 7323976
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 71829380
2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
CID 41242533
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide
CID 1355205
2-[3-benzyl-4-oxo-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
CID 5108578
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
N-benzyl-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1026487
N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 1352347
2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide
CID 17382438

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide (CID 21235061) is N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N\Cc2cccnc2)N(Cc2cccnc2)C1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is HSQQJHKXCBODDM-COOPMVRXSA-N. The full InChI is InChI=1S/C24H23N5O2S/c30-22(27-15-18-6-2-1-3-7-18)12-21-23(31)29(17-20-9-5-11-26-14-20)24(32-21)28-16-19-8-4-10-25-13-19/h1-11,13-14,21H,12,15-17H2,(H,27,30)/b28-24-.
What are the key properties of N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide?
N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 445.55 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 21235061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).