2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C6H5N3OS2 — CID 607976

IUPAC2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nccs1
InChIInChI=1S/C6H5N3OS2/c7-5-9(4(10)3-12-5)6-8-1-2-11-6/h1-2,7H,3H2/b7-5-
InChIKeyGDPIJFOHIJJASY-ALCCZGGFSA-N
MW199.26 g/mol
LogP1.16
Rot. Bonds1

About 2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 607976) has the molecular formula C6H5N3OS2 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID607976
Molecular FormulaC6H5N3OS2
Molecular Weight199.26 g/mol
Exact Mass198.99
IUPAC Name2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nccs1
InChIInChI=1S/C6H5N3OS2/c7-5-9(4(10)3-12-5)6-8-1-2-11-6/h1-2,7H,3H2/b7-5-
InChIKeyGDPIJFOHIJJASY-ALCCZGGFSA-N
XLogP1.16
TPSA57.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 607976) is 2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1nccs1.
What is the InChIKey of 2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is GDPIJFOHIJJASY-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H5N3OS2/c7-5-9(4(10)3-12-5)6-8-1-2-11-6/h1-2,7H,3H2/b7-5-.
What are the key properties of 2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 199.26 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 607976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).