10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one

C26H23N3O2S — CID 16605584

IUPAC10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one
SMILESCc1cccc(/N=C2\SC(C)CN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1
InChIInChI=1S/C26H23N3O2S/c1-17-8-7-9-19(14-17)27-26-29(15-18(2)32-26)24(30)16-28-22-12-5-3-10-20(22)25(31)21-11-4-6-13-23(21)28/h3-14,18H,15-16H2,1-2H3/b27-26-
InChIKeyVOJFPINXIXJHJZ-RQZHXJHFSA-N
MW441.56 g/mol
LogP5.11
Rot. Bonds3

About 10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one

10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one (PubChem CID 16605584) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is 10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one.

Molecular Properties

Compound Name10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one
PubChem CID16605584
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC Name10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one
SMILESCc1cccc(/N=C2\SC(C)CN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1
InChIInChI=1S/C26H23N3O2S/c1-17-8-7-9-19(14-17)27-26-29(15-18(2)32-26)24(30)16-28-22-12-5-3-10-20(22)25(31)21-11-4-6-13-23(21)28/h3-14,18H,15-16H2,1-2H3/b27-26-
InChIKeyVOJFPINXIXJHJZ-RQZHXJHFSA-N
XLogP5.11
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.11
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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Frequently Asked Questions

What is the IUPAC name of 10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one?
The IUPAC name of 10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one (CID 16605584) is 10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one.
What is the SMILES notation for 10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one?
The canonical SMILES for 10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one is Cc1cccc(/N=C2\SC(C)CN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1.
What is the InChIKey of 10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one?
The InChIKey is VOJFPINXIXJHJZ-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H23N3O2S/c1-17-8-7-9-19(14-17)27-26-29(15-18(2)32-26)24(30)16-28-22-12-5-3-10-20(22)25(31)21-11-4-6-13-23(21)28/h3-14,18H,15-16H2,1-2H3/b27-26-.
What are the key properties of 10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one?
10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one has a molecular weight of 441.56 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one is sourced from PubChem (CID 16605584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).