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

C7H11N3S2 — CID 103865861

IUPACN-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine
SMILESC=CCSCCNc1ncns1
InChIInChI=1S/C7H11N3S2/c1-2-4-11-5-3-8-7-9-6-10-12-7/h2,6H,1,3-5H2,(H,8,9,10)
InChIKeyCHAWFKURXAODAG-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.87
Rot. Bonds6

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

N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103865861) has the molecular formula C7H11N3S2 and a molecular weight of 201.32 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID103865861
Molecular FormulaC7H11N3S2
Molecular Weight201.32 g/mol
Exact Mass201.04
IUPAC NameN-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine
SMILESC=CCSCCNc1ncns1
InChIInChI=1S/C7H11N3S2/c1-2-4-11-5-3-8-7-9-6-10-12-7/h2,6H,1,3-5H2,(H,8,9,10)
InChIKeyCHAWFKURXAODAG-UHFFFAOYSA-N
XLogP1.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.87
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 N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine (CID 103865861) is N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine is C=CCSCCNc1ncns1.
What is the InChIKey of N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CHAWFKURXAODAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S2/c1-2-4-11-5-3-8-7-9-6-10-12-7/h2,6H,1,3-5H2,(H,8,9,10).
What are the key properties of N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 201.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103865861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).