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

C28H24N4O2S — CID 4022978

IUPAC2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
SMILESCc1ccccc1/N=C1\SC(CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1
InChIInChI=1S/C28H24N4O2S/c1-19-8-2-5-12-24(19)31-28-32(18-23-11-6-7-15-29-23)27(34)25(35-28)17-26(33)30-22-14-13-20-9-3-4-10-21(20)16-22/h2-16,25H,17-18H2,1H3,(H,30,33)/b31-28-
InChIKeyCCKTYTPEQBNMIC-PNOGMODKSA-N
MW480.59 g/mol
LogP5.70
Rot. Bonds6

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

2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide (PubChem CID 4022978) has the molecular formula C28H24N4O2S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
PubChem CID4022978
Molecular FormulaC28H24N4O2S
Molecular Weight480.59 g/mol
Exact Mass480.16
IUPAC Name2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
SMILESCc1ccccc1/N=C1\SC(CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1
InChIInChI=1S/C28H24N4O2S/c1-19-8-2-5-12-24(19)31-28-32(18-23-11-6-7-15-29-23)27(34)25(35-28)17-26(33)30-22-14-13-20-9-3-4-10-21(20)16-22/h2-16,25H,17-18H2,1H3,(H,30,33)/b31-28-
InChIKeyCCKTYTPEQBNMIC-PNOGMODKSA-N
XLogP5.70
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide (CID 4022978) is 2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide is Cc1ccccc1/N=C1\SC(CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1.
What is the InChIKey of 2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
The InChIKey is CCKTYTPEQBNMIC-PNOGMODKSA-N. The full InChI is InChI=1S/C28H24N4O2S/c1-19-8-2-5-12-24(19)31-28-32(18-23-11-6-7-15-29-23)27(34)25(35-28)17-26(33)30-22-14-13-20-9-3-4-10-21(20)16-22/h2-16,25H,17-18H2,1H3,(H,30,33)/b31-28-.
What are the key properties of 2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?
2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide has a molecular weight of 480.59 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 4022978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).