3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine

C8H13N3S2 — CID 103702792

IUPAC3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine
SMILESC=CCSCCNc1nc(C)ns1
InChIInChI=1S/C8H13N3S2/c1-3-5-12-6-4-9-8-10-7(2)11-13-8/h3H,1,4-6H2,2H3,(H,9,10,11)
InChIKeyZOGAAMGFSGYFSY-UHFFFAOYSA-N
MW215.35 g/mol
LogP2.18
Rot. Bonds6

About 3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103702792) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is 3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID103702792
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC Name3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine
SMILESC=CCSCCNc1nc(C)ns1
InChIInChI=1S/C8H13N3S2/c1-3-5-12-6-4-9-8-10-7(2)11-13-8/h3H,1,4-6H2,2H3,(H,9,10,11)
InChIKeyZOGAAMGFSGYFSY-UHFFFAOYSA-N
XLogP2.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine (CID 103702792) is 3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine is C=CCSCCNc1nc(C)ns1.
What is the InChIKey of 3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZOGAAMGFSGYFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-3-5-12-6-4-9-8-10-7(2)11-13-8/h3H,1,4-6H2,2H3,(H,9,10,11).
What are the key properties of 3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 215.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103702792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).