2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid

C14H16N2O3S — CID 15500692

IUPAC2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCc1ccc(/N=C2\SC(CC(=O)O)C(=O)N2C)c(C)c1
InChIInChI=1S/C14H16N2O3S/c1-8-4-5-10(9(2)6-8)15-14-16(3)13(19)11(20-14)7-12(17)18/h4-6,11H,7H2,1-3H3,(H,17,18)/b15-14-
InChIKeyBOPBOWSNXDQEMK-PFONDFGASA-N
MW292.36 g/mol
LogP2.34
Rot. Bonds3

About 2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid

2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 15500692) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID15500692
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCc1ccc(/N=C2\SC(CC(=O)O)C(=O)N2C)c(C)c1
InChIInChI=1S/C14H16N2O3S/c1-8-4-5-10(9(2)6-8)15-14-16(3)13(19)11(20-14)7-12(17)18/h4-6,11H,7H2,1-3H3,(H,17,18)/b15-14-
InChIKeyBOPBOWSNXDQEMK-PFONDFGASA-N
XLogP2.34
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.34
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

2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 40830577
2-[(5S)-2-(3-chloro-4-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 28914602
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid
CID 2779747
2-[(5S)-2-(2,3-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 40830240
2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 40830343
N-(2,4-dimethylphenyl)-2-[(2E)-3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 6050944
2-[(5S)-2-(2,6-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 1238888
2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 40555085
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 171982150
N-benzyl-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 4072021
N-(3-chloro-2-methylphenyl)-2-[2-(2,4-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 46802671
N-(2-bromophenyl)-2-[3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 5057322

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid (CID 15500692) is 2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid is Cc1ccc(/N=C2\SC(CC(=O)O)C(=O)N2C)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is BOPBOWSNXDQEMK-PFONDFGASA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8-4-5-10(9(2)6-8)15-14-16(3)13(19)11(20-14)7-12(17)18/h4-6,11H,7H2,1-3H3,(H,17,18)/b15-14-.
What are the key properties of 2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 292.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 15500692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).