10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one

C25H21N3O2S — CID 16605495

IUPAC10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one
SMILESCc1ccccc1/N=C1\SCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C25H21N3O2S/c1-17-8-2-5-11-20(17)26-25-27(14-15-31-25)23(29)16-28-21-12-6-3-9-18(21)24(30)19-10-4-7-13-22(19)28/h2-13H,14-16H2,1H3/b26-25-
InChIKeyCQLFHBIKXBKIBJ-QPLCGJKRSA-N
MW427.53 g/mol
LogP4.73
Rot. Bonds3

About 10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one

10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one (PubChem CID 16605495) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one.

Molecular Properties

Compound Name10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one
PubChem CID16605495
Molecular FormulaC25H21N3O2S
Molecular Weight427.53 g/mol
Exact Mass427.14
IUPAC Name10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one
SMILESCc1ccccc1/N=C1\SCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C25H21N3O2S/c1-17-8-2-5-11-20(17)26-25-27(14-15-31-25)23(29)16-28-21-12-6-3-9-18(21)24(30)19-10-4-7-13-22(19)28/h2-13H,14-16H2,1H3/b26-25-
InChIKeyCQLFHBIKXBKIBJ-QPLCGJKRSA-N
XLogP4.73
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[3-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-oxopropyl]benzimidazol-2-one
CID 16592435
3-[4-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
CID 18270932
1-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(4-nitrophenoxy)ethanone
CID 18226084
10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one
CID 16605584
[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587482
10-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acridin-9-one
CID 25332662
1-[4-[2-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 8746600
(2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone
CID 7947794
7a-methyl-3-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one
CID 42905619
1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119355662
3-[3-oxo-3-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]propyl]-1,3-benzoxazol-2-one
CID 16561104
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148

Frequently Asked Questions

What is the IUPAC name of 10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one?
The IUPAC name of 10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one (CID 16605495) is 10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one.
What is the SMILES notation for 10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one?
The canonical SMILES for 10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one is Cc1ccccc1/N=C1\SCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one?
The InChIKey is CQLFHBIKXBKIBJ-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H21N3O2S/c1-17-8-2-5-11-20(17)26-25-27(14-15-31-25)23(29)16-28-21-12-6-3-9-18(21)24(30)19-10-4-7-13-22(19)28/h2-13H,14-16H2,1H3/b26-25-.
What are the key properties of 10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one?
10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one has a molecular weight of 427.53 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one is sourced from PubChem (CID 16605495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).