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

C9H10N4O2S — CID 62246150

IUPAC3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESNNc1ccc(CN2C(=O)CSC2=O)cn1
InChIInChI=1S/C9H10N4O2S/c10-12-7-2-1-6(3-11-7)4-13-8(14)5-16-9(13)15/h1-3H,4-5,10H2,(H,11,12)
InChIKeyGOOUEIKOPWWALG-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.56
Rot. Bonds3

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

3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 62246150) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID62246150
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESNNc1ccc(CN2C(=O)CSC2=O)cn1
InChIInChI=1S/C9H10N4O2S/c10-12-7-2-1-6(3-11-7)4-13-8(14)5-16-9(13)15/h1-3H,4-5,10H2,(H,11,12)
InChIKeyGOOUEIKOPWWALG-UHFFFAOYSA-N
XLogP0.56
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione (CID 62246150) is 3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione is NNc1ccc(CN2C(=O)CSC2=O)cn1.
What is the InChIKey of 3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is GOOUEIKOPWWALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-12-7-2-1-6(3-11-7)4-13-8(14)5-16-9(13)15/h1-3H,4-5,10H2,(H,11,12).
What are the key properties of 3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione?
3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 238.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 62246150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).