2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one

C6H6N4OS2 — CID 1227495

IUPAC2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nnc(C)s1
InChIInChI=1S/C6H6N4OS2/c1-3-8-9-6(13-3)10-4(11)2-12-5(10)7/h7H,2H2,1H3/b7-5-
InChIKeyDNZQXIWBVPZBND-ALCCZGGFSA-N
MW214.27 g/mol
LogP0.86
Rot. Bonds1

About 2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one

2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 1227495) has the molecular formula C6H6N4OS2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID1227495
Molecular FormulaC6H6N4OS2
Molecular Weight214.27 g/mol
Exact Mass214.00
IUPAC Name2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nnc(C)s1
InChIInChI=1S/C6H6N4OS2/c1-3-8-9-6(13-3)10-4(11)2-12-5(10)7/h7H,2H2,1H3/b7-5-
InChIKeyDNZQXIWBVPZBND-ALCCZGGFSA-N
XLogP0.86
TPSA69.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
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-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one (CID 1227495) is 2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1nnc(C)s1.
What is the InChIKey of 2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is DNZQXIWBVPZBND-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H6N4OS2/c1-3-8-9-6(13-3)10-4(11)2-12-5(10)7/h7H,2H2,1H3/b7-5-.
What are the key properties of 2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 214.27 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1227495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).