2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid

C10H11N3O4S — CID 80576426

IUPAC2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCN1C(=O)CC(Nc2nc(CC(=O)O)cs2)C1=O
InChIInChI=1S/C10H11N3O4S/c1-13-7(14)3-6(9(13)17)12-10-11-5(4-18-10)2-8(15)16/h4,6H,2-3H2,1H3,(H,11,12)(H,15,16)
InChIKeyMZLOVDWRTYZXDP-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.06
Rot. Bonds4

About 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 80576426) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID80576426
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCN1C(=O)CC(Nc2nc(CC(=O)O)cs2)C1=O
InChIInChI=1S/C10H11N3O4S/c1-13-7(14)3-6(9(13)17)12-10-11-5(4-18-10)2-8(15)16/h4,6H,2-3H2,1H3,(H,11,12)(H,15,16)
InChIKeyMZLOVDWRTYZXDP-UHFFFAOYSA-N
XLogP-0.06
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 54960598
2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid
CID 9154876
methyl 3-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040484
2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 114805146
2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576470
1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione
CID 43635903
2-[2-[3-(2,5-dimethylanilino)-2,5-dioxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetic acid
CID 43861057
2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 83023966
2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16777075
2-[2-(2-methylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16791992
2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 64988064
2-[2-[(1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575860

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid (CID 80576426) is 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid is CN1C(=O)CC(Nc2nc(CC(=O)O)cs2)C1=O.
What is the InChIKey of 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is MZLOVDWRTYZXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-13-7(14)3-6(9(13)17)12-10-11-5(4-18-10)2-8(15)16/h4,6H,2-3H2,1H3,(H,11,12)(H,15,16).
What are the key properties of 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 269.28 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80576426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).