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

C20H23N3O2S — CID 135691756

IUPAC2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
SMILESCC(C)CC/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S1
InChIInChI=1S/C20H23N3O2S/c1-13(2)10-11-21-20-23-19(25)17(26-20)12-18(24)22-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,17H,10-12H2,1-2H3,(H,22,24)(H,21,23,25)/t17-/m0/s1
InChIKeyWOKAZDAIABZBIP-KRWDZBQOSA-N
MW369.49 g/mol
LogP3.80
Rot. Bonds6

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

2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide (PubChem CID 135691756) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
PubChem CID135691756
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
SMILESCC(C)CC/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S1
InChIInChI=1S/C20H23N3O2S/c1-13(2)10-11-21-20-23-19(25)17(26-20)12-18(24)22-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,17H,10-12H2,1-2H3,(H,22,24)(H,21,23,25)/t17-/m0/s1
InChIKeyWOKAZDAIABZBIP-KRWDZBQOSA-N
XLogP3.80
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.80
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-(2-methylphenyl)acetamide
CID 135691768
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135836409
N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691749
N-naphthalen-1-yl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135673184
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135692156
2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide
CID 154777202
2-[(5R)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-phenoxyphenyl)acetamide
CID 135691753
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135738827
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-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide
CID 135774989
N-(2-bromophenyl)-2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135673104

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide (CID 135691756) is 2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide is CC(C)CC/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S1.
What is the InChIKey of 2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is WOKAZDAIABZBIP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13(2)10-11-21-20-23-19(25)17(26-20)12-18(24)22-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,17H,10-12H2,1-2H3,(H,22,24)(H,21,23,25)/t17-/m0/s1.
What are the key properties of 2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide?
2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 369.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 135691756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).