3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione

C9H7ClN2O2S — CID 79240657

IUPAC3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1cccc(Cl)n1
InChIInChI=1S/C9H7ClN2O2S/c10-7-3-1-2-6(11-7)4-12-8(13)5-15-9(12)14/h1-3H,4-5H2
InChIKeyFIEMKWJORHXENJ-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.93
Rot. Bonds2

About 3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione

3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 79240657) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID79240657
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1cccc(Cl)n1
InChIInChI=1S/C9H7ClN2O2S/c10-7-3-1-2-6(11-7)4-12-8(13)5-15-9(12)14/h1-3H,4-5H2
InChIKeyFIEMKWJORHXENJ-UHFFFAOYSA-N
XLogP1.93
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione (CID 79240657) is 3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1Cc1cccc(Cl)n1.
What is the InChIKey of 3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is FIEMKWJORHXENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-7-3-1-2-6(11-7)4-12-8(13)5-15-9(12)14/h1-3H,4-5H2.
What are the key properties of 3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione?
3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 242.69 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 79240657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).