5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine

C5H10N4S2 — CID 66278792

IUPAC5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCSCCNc1nc(N)ns1
InChIInChI=1S/C5H10N4S2/c1-10-3-2-7-5-8-4(6)9-11-5/h2-3H2,1H3,(H3,6,7,8,9)
InChIKeyFZCZUJGUMRNTOG-UHFFFAOYSA-N
MW190.30 g/mol
LogP0.90
Rot. Bonds4

About 5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66278792) has the molecular formula C5H10N4S2 and a molecular weight of 190.30 g/mol. Its IUPAC name is 5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66278792
Molecular FormulaC5H10N4S2
Molecular Weight190.30 g/mol
Exact Mass190.03
IUPAC Name5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCSCCNc1nc(N)ns1
InChIInChI=1S/C5H10N4S2/c1-10-3-2-7-5-8-4(6)9-11-5/h2-3H2,1H3,(H3,6,7,8,9)
InChIKeyFZCZUJGUMRNTOG-UHFFFAOYSA-N
XLogP0.90
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine (CID 66278792) is 5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine is CSCCNc1nc(N)ns1.
What is the InChIKey of 5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is FZCZUJGUMRNTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S2/c1-10-3-2-7-5-8-4(6)9-11-5/h2-3H2,1H3,(H3,6,7,8,9).
What are the key properties of 5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 190.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66278792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).