2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one

C5H6N6OS — CID 141220418

IUPAC2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\Cc2nn[nH]n2)N1
InChIInChI=1S/C5H6N6OS/c12-4-2-13-5(7-4)6-1-3-8-10-11-9-3/h1-2H2,(H,6,7,12)(H,8,9,10,11)
InChIKeyWEHIFGSCYHJGBP-UHFFFAOYSA-N
MW198.21 g/mol
LogP-1.08
Rot. Bonds2

About 2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one

2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one (PubChem CID 141220418) has the molecular formula C5H6N6OS and a molecular weight of 198.21 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one
PubChem CID141220418
Molecular FormulaC5H6N6OS
Molecular Weight198.21 g/mol
Exact Mass198.03
IUPAC Name2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\Cc2nn[nH]n2)N1
InChIInChI=1S/C5H6N6OS/c12-4-2-13-5(7-4)6-1-3-8-10-11-9-3/h1-2H2,(H,6,7,12)(H,8,9,10,11)
InChIKeyWEHIFGSCYHJGBP-UHFFFAOYSA-N
XLogP-1.08
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one (CID 141220418) is 2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one is O=C1CS/C(=N\Cc2nn[nH]n2)N1.
What is the InChIKey of 2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one?
The InChIKey is WEHIFGSCYHJGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6OS/c12-4-2-13-5(7-4)6-1-3-8-10-11-9-3/h1-2H2,(H,6,7,12)(H,8,9,10,11).
What are the key properties of 2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one?
2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one has a molecular weight of 198.21 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-ylmethylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 141220418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).