(2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one

C5H5N5OS — CID 155811958

IUPAC(2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ncn[nH]2)N1
InChIInChI=1S/C5H5N5OS/c11-3-1-12-5(8-3)9-4-6-2-7-10-4/h2H,1H2,(H2,6,7,8,9,10,11)
InChIKeyZDCQSRVDRUBMGJ-UHFFFAOYSA-N
MW183.20 g/mol
LogP-0.34
Rot. Bonds1

About (2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one

(2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one (PubChem CID 155811958) has the molecular formula C5H5N5OS and a molecular weight of 183.20 g/mol. Its IUPAC name is (2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one
PubChem CID155811958
Molecular FormulaC5H5N5OS
Molecular Weight183.20 g/mol
Exact Mass183.02
IUPAC Name(2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ncn[nH]2)N1
InChIInChI=1S/C5H5N5OS/c11-3-1-12-5(8-3)9-4-6-2-7-10-4/h2H,1H2,(H2,6,7,8,9,10,11)
InChIKeyZDCQSRVDRUBMGJ-UHFFFAOYSA-N
XLogP-0.34
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
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 (2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one (CID 155811958) is (2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ncn[nH]2)N1.
What is the InChIKey of (2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is ZDCQSRVDRUBMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5OS/c11-3-1-12-5(8-3)9-4-6-2-7-10-4/h2H,1H2,(H2,6,7,8,9,10,11).
What are the key properties of (2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one?
(2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 183.20 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 155811958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).