1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione

C8H11N3O2S — CID 70598276

IUPAC1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CNC1=NCCS1
InChIInChI=1S/C8H11N3O2S/c12-6-1-2-7(13)11(6)5-10-8-9-3-4-14-8/h1-5H2,(H,9,10)
InChIKeyQQIMZOLLUJZGIK-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.21
Rot. Bonds2

About 1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione

1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione (PubChem CID 70598276) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione
PubChem CID70598276
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CNC1=NCCS1
InChIInChI=1S/C8H11N3O2S/c12-6-1-2-7(13)11(6)5-10-8-9-3-4-14-8/h1-5H2,(H,9,10)
InChIKeyQQIMZOLLUJZGIK-UHFFFAOYSA-N
XLogP-0.21
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione (CID 70598276) is 1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CNC1=NCCS1.
What is the InChIKey of 1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione?
The InChIKey is QQIMZOLLUJZGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-6-1-2-7(13)11(6)5-10-8-9-3-4-14-8/h1-5H2,(H,9,10).
What are the key properties of 1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione?
1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione has a molecular weight of 213.26 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 70598276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).