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

C7H8N4OS2 — CID 593359

IUPAC3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nnc(CC)s1
InChIInChI=1S/C7H8N4OS2/c1-2-4-9-10-7(14-4)11-5(12)3-13-6(11)8/h8H,2-3H2,1H3/b8-6-
InChIKeyFHGPDUQVFWQLFK-VURMDHGXSA-N
MW228.30 g/mol
LogP1.12
Rot. Bonds2

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

3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imino-1,3-thiazolidin-4-one (PubChem CID 593359) has the molecular formula C7H8N4OS2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imino-1,3-thiazolidin-4-one
PubChem CID593359
Molecular FormulaC7H8N4OS2
Molecular Weight228.30 g/mol
Exact Mass228.01
IUPAC Name3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nnc(CC)s1
InChIInChI=1S/C7H8N4OS2/c1-2-4-9-10-7(14-4)11-5(12)3-13-6(11)8/h8H,2-3H2,1H3/b8-6-
InChIKeyFHGPDUQVFWQLFK-VURMDHGXSA-N
XLogP1.12
TPSA69.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[2-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982612
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1979833
N-(5-{[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
CID 3353473
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2231526
2-Imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 1227495
2-Imino-3-(5-nonyl-1,3,4-thiadiazol-2-YL)-1,3-thiazolidin-4-one
CID 71368583

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imino-1,3-thiazolidin-4-one (CID 593359) is 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1nnc(CC)s1.
What is the InChIKey of 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imino-1,3-thiazolidin-4-one?
The InChIKey is FHGPDUQVFWQLFK-VURMDHGXSA-N. The full InChI is InChI=1S/C7H8N4OS2/c1-2-4-9-10-7(14-4)11-5(12)3-13-6(11)8/h8H,2-3H2,1H3/b8-6-.
What are the key properties of 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imino-1,3-thiazolidin-4-one?
3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imino-1,3-thiazolidin-4-one has a molecular weight of 228.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 593359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).