3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one

C8H6N2OS2 — CID 2998490

IUPAC3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1c1cccnc1
InChIInChI=1S/C8H6N2OS2/c11-7-5-13-8(12)10(7)6-2-1-3-9-4-6/h1-4H,5H2
InChIKeyKSXXJFQERZBGMI-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.45
Rot. Bonds1

About 3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one

3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2998490) has the molecular formula C8H6N2OS2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2998490
Molecular FormulaC8H6N2OS2
Molecular Weight210.28 g/mol
Exact Mass209.99
IUPAC Name3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1c1cccnc1
InChIInChI=1S/C8H6N2OS2/c11-7-5-13-8(12)10(7)6-2-1-3-9-4-6/h1-4H,5H2
InChIKeyKSXXJFQERZBGMI-UHFFFAOYSA-N
XLogP1.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2998490) is 3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1c1cccnc1.
What is the InChIKey of 3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is KSXXJFQERZBGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS2/c11-7-5-13-8(12)10(7)6-2-1-3-9-4-6/h1-4H,5H2.
What are the key properties of 3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one?
3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 210.28 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2998490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).