2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide

C22H19N3O2S — CID 135725322

IUPAC2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
SMILESCc1ccc(/N=C2/NC(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)S2)cc1
InChIInChI=1S/C22H19N3O2S/c1-14-6-9-17(10-7-14)24-22-25-21(27)19(28-22)13-20(26)23-18-11-8-15-4-2-3-5-16(15)12-18/h2-12,19H,13H2,1H3,(H,23,26)(H,24,25,27)/t19-/m0/s1
InChIKeySJFNRTPLKXTRQW-IBGZPJMESA-N
MW389.48 g/mol
LogP4.40
Rot. Bonds4

About 2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide

2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide (PubChem CID 135725322) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
PubChem CID135725322
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
SMILESCc1ccc(/N=C2/NC(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)S2)cc1
InChIInChI=1S/C22H19N3O2S/c1-14-6-9-17(10-7-14)24-22-25-21(27)19(28-22)13-20(26)23-18-11-8-15-4-2-3-5-16(15)12-18/h2-12,19H,13H2,1H3,(H,23,26)(H,24,25,27)/t19-/m0/s1
InChIKeySJFNRTPLKXTRQW-IBGZPJMESA-N
XLogP4.40
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 135691888
N-(3-methylphenyl)-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 171982363
N-(3,4-dichlorophenyl)-2-[(5R)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725343
N-(4-bromophenyl)-2-[(5R)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135689420
2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135704966
N-(3-chloro-4-methylphenyl)-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135473517
N-(3-chloro-4-methylphenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135834009
N-(3-acetylphenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725340
4-[[(5R)-5-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135759847
N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135927454
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135427527
2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135858256

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide (CID 135725322) is 2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide is Cc1ccc(/N=C2/NC(=O)[C@H](CC(=O)Nc3ccc4ccccc4c3)S2)cc1.
What is the InChIKey of 2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
The InChIKey is SJFNRTPLKXTRQW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-14-6-9-17(10-7-14)24-22-25-21(27)19(28-22)13-20(26)23-18-11-8-15-4-2-3-5-16(15)12-18/h2-12,19H,13H2,1H3,(H,23,26)(H,24,25,27)/t19-/m0/s1.
What are the key properties of 2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide has a molecular weight of 389.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 135725322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).