N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide

C23H21N3O2S — CID 135836409

IUPACN-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H21N3O2S/c27-21(25-19-12-6-10-17-9-4-5-11-18(17)19)15-20-22(28)26-23(29-20)24-14-13-16-7-2-1-3-8-16/h1-12,20H,13-15H2,(H,25,27)(H,24,26,28)/t20-/m0/s1
InChIKeyPRDWQTFHTZQIKN-FQEVSTJZSA-N
MW403.51 g/mol
LogP4.00
Rot. Bonds6

About N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide

N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135836409) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
PubChem CID135836409
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H21N3O2S/c27-21(25-19-12-6-10-17-9-4-5-11-18(17)19)15-20-22(28)26-23(29-20)24-14-13-16-7-2-1-3-8-16/h1-12,20H,13-15H2,(H,25,27)(H,24,26,28)/t20-/m0/s1
InChIKeyPRDWQTFHTZQIKN-FQEVSTJZSA-N
XLogP4.00
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.00
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-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691756
N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135952219
N-naphthalen-1-yl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135673184
N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135797709
2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide
CID 154777202
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135692156
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135738827
2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide
CID 135692048
2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135692285
2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691920
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691919
2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135691768

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide (CID 135836409) is N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide is O=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is PRDWQTFHTZQIKN-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H21N3O2S/c27-21(25-19-12-6-10-17-9-4-5-11-18(17)19)15-20-22(28)26-23(29-20)24-14-13-16-7-2-1-3-8-16/h1-12,20H,13-15H2,(H,25,27)(H,24,26,28)/t20-/m0/s1.
What are the key properties of N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 403.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135836409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).