2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid

C7H10N2O3S — CID 2779747

IUPAC2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid
SMILESC/N=C1\SC(CC(=O)O)C(=O)N1C
InChIInChI=1S/C7H10N2O3S/c1-8-7-9(2)6(12)4(13-7)3-5(10)11/h4H,3H2,1-2H3,(H,10,11)/b8-7-
InChIKeyJYCIIMYFSHYOEI-FPLPWBNLSA-N
MW202.23 g/mol
LogP0.02
Rot. Bonds2

About 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid

2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid (PubChem CID 2779747) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid
PubChem CID2779747
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid
SMILESC/N=C1\SC(CC(=O)O)C(=O)N1C
InChIInChI=1S/C7H10N2O3S/c1-8-7-9(2)6(12)4(13-7)3-5(10)11/h4H,3H2,1-2H3,(H,10,11)/b8-7-
InChIKeyJYCIIMYFSHYOEI-FPLPWBNLSA-N
XLogP0.02
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.02
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-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3155076
2-[2-(2,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 15500692
N-(3,5-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 42996523
2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 27209464
2-[(5S)-2-(3-chloro-4-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 28914602
N-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 45143371
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 42914987
2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135684170
N-(2-methoxy-4-nitrophenyl)-2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7529218
2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 7176491
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 40555085

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid?
The IUPAC name of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid (CID 2779747) is 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid is C/N=C1\SC(CC(=O)O)C(=O)N1C.
What is the InChIKey of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid?
The InChIKey is JYCIIMYFSHYOEI-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-8-7-9(2)6(12)4(13-7)3-5(10)11/h4H,3H2,1-2H3,(H,10,11)/b8-7-.
What are the key properties of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid?
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid has a molecular weight of 202.23 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid is sourced from PubChem (CID 2779747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).