2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium

C8H17N4S2+ — CID 9379515

IUPAC2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium
SMILESCCNc1nnc(SCC[NH+](C)C)s1
InChIInChI=1S/C8H16N4S2/c1-4-9-7-10-11-8(14-7)13-6-5-12(2)3/h4-6H2,1-3H3,(H,9,10)/p+1
InChIKeyWNTAOUDCEGWHPW-UHFFFAOYSA-O
MW233.39 g/mol
LogP0.21
Rot. Bonds6

About 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium (PubChem CID 9379515) has the molecular formula C8H17N4S2+ and a molecular weight of 233.39 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium
PubChem CID9379515
Molecular FormulaC8H17N4S2+
Molecular Weight233.39 g/mol
Exact Mass233.09
IUPAC Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium
SMILESCCNc1nnc(SCC[NH+](C)C)s1
InChIInChI=1S/C8H16N4S2/c1-4-9-7-10-11-8(14-7)13-6-5-12(2)3/h4-6H2,1-3H3,(H,9,10)/p+1
InChIKeyWNTAOUDCEGWHPW-UHFFFAOYSA-O
XLogP0.21
TPSA42.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.39
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium?
The IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium (CID 9379515) is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium?
The canonical SMILES for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium is CCNc1nnc(SCC[NH+](C)C)s1.
What is the InChIKey of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium?
The InChIKey is WNTAOUDCEGWHPW-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N4S2/c1-4-9-7-10-11-8(14-7)13-6-5-12(2)3/h4-6H2,1-3H3,(H,9,10)/p+1.
What are the key properties of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium?
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium has a molecular weight of 233.39 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium is sourced from PubChem (CID 9379515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).