1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione

C8H7ClN2O2S — CID 79764600

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1cnc(Cl)s1
InChIInChI=1S/C8H7ClN2O2S/c9-8-10-3-5(14-8)4-11-6(12)1-2-7(11)13/h3H,1-2,4H2
InChIKeyNDYWGIIAHVIIJB-UHFFFAOYSA-N
MW230.68 g/mol
LogP1.45
Rot. Bonds2

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione

1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 79764600) has the molecular formula C8H7ClN2O2S and a molecular weight of 230.68 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione
PubChem CID79764600
Molecular FormulaC8H7ClN2O2S
Molecular Weight230.68 g/mol
Exact Mass229.99
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1cnc(Cl)s1
InChIInChI=1S/C8H7ClN2O2S/c9-8-10-3-5(14-8)4-11-6(12)1-2-7(11)13/h3H,1-2,4H2
InChIKeyNDYWGIIAHVIIJB-UHFFFAOYSA-N
XLogP1.45
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione (CID 79764600) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1cnc(Cl)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is NDYWGIIAHVIIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2S/c9-8-10-3-5(14-8)4-11-6(12)1-2-7(11)13/h3H,1-2,4H2.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 230.68 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 79764600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).