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

C10H11ClN2O2S — CID 79763972

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2cnc(Cl)s2)C(=O)C1C
InChIInChI=1S/C10H11ClN2O2S/c1-5-6(2)9(15)13(8(5)14)4-7-3-12-10(11)16-7/h3,5-6H,4H2,1-2H3
InChIKeyBBIWCEFXNFVEMO-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.94
Rot. Bonds2

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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 79763972) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID79763972
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2cnc(Cl)s2)C(=O)C1C
InChIInChI=1S/C10H11ClN2O2S/c1-5-6(2)9(15)13(8(5)14)4-7-3-12-10(11)16-7/h3,5-6H,4H2,1-2H3
InChIKeyBBIWCEFXNFVEMO-UHFFFAOYSA-N
XLogP1.94
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.94
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]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 79763972) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(Cc2cnc(Cl)s2)C(=O)C1C.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is BBIWCEFXNFVEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-5-6(2)9(15)13(8(5)14)4-7-3-12-10(11)16-7/h3,5-6H,4H2,1-2H3.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 258.73 g/mol, XLogP of 1.94, 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]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79763972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).