1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione

C10H13N3O2S — CID 79774376

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2cnc(N)s2)C(=O)C1C
InChIInChI=1S/C10H13N3O2S/c1-5-6(2)9(15)13(8(5)14)4-7-3-12-10(11)16-7/h3,5-6H,4H2,1-2H3,(H2,11,12)
InChIKeyJTKIZJCGVMDMJU-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.87
Rot. Bonds2

About 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 79774376) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID79774376
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2cnc(N)s2)C(=O)C1C
InChIInChI=1S/C10H13N3O2S/c1-5-6(2)9(15)13(8(5)14)4-7-3-12-10(11)16-7/h3,5-6H,4H2,1-2H3,(H2,11,12)
InChIKeyJTKIZJCGVMDMJU-UHFFFAOYSA-N
XLogP0.87
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one
CID 80583223
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-diethylpiperazin-2-one
CID 120904117
[1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol
CID 120903792
1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-2,3-dione
CID 79774466
5-[(2,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120900568
5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900526
5-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79772681
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 115882742
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79773868
5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903534

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 79774376) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(Cc2cnc(N)s2)C(=O)C1C.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is JTKIZJCGVMDMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-5-6(2)9(15)13(8(5)14)4-7-3-12-10(11)16-7/h3,5-6H,4H2,1-2H3,(H2,11,12).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 239.30 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79774376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).