N-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C15H19N3O2S — CID 45143371

IUPACN-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESC/N=C1/SC(CC(=O)Nc2ccc(C)c(C)c2)C(=O)N1C
InChIInChI=1S/C15H19N3O2S/c1-9-5-6-11(7-10(9)2)17-13(19)8-12-14(20)18(4)15(16-3)21-12/h5-7,12H,8H2,1-4H3,(H,17,19)/b16-15+
InChIKeyCBTDDZUWCXFQOL-FOCLMDBBSA-N
MW305.40 g/mol
LogP2.19
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 45143371) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID45143371
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESC/N=C1/SC(CC(=O)Nc2ccc(C)c(C)c2)C(=O)N1C
InChIInChI=1S/C15H19N3O2S/c1-9-5-6-11(7-10(9)2)17-13(19)8-12-14(20)18(4)15(16-3)21-12/h5-7,12H,8H2,1-4H3,(H,17,19)/b16-15+
InChIKeyCBTDDZUWCXFQOL-FOCLMDBBSA-N
XLogP2.19
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 42914987
2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 27209464
N-(3,5-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 42996523
2-[(5S)-2-(2,6-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 1238888
2-[(5S)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 40830248
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 171982150
N-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3155076
N-(4-chlorophenyl)-2-[(5S)-2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7324470
2-[(5R)-2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 1221375
4-[[2-[2-(2,6-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 3477220
N-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7529218
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 45143371) is N-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is C/N=C1/SC(CC(=O)Nc2ccc(C)c(C)c2)C(=O)N1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is CBTDDZUWCXFQOL-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-5-6-11(7-10(9)2)17-13(19)8-12-14(20)18(4)15(16-3)21-12/h5-7,12H,8H2,1-4H3,(H,17,19)/b16-15+.
What are the key properties of N-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 45143371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).