5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine

C8H16N4S2 — CID 9379516

IUPAC5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCCN(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)
InChIKeyWNTAOUDCEGWHPW-UHFFFAOYSA-N
MW232.38 g/mol
LogP1.62
Rot. Bonds6

About 5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine

5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 9379516) has the molecular formula C8H16N4S2 and a molecular weight of 232.38 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID9379516
Molecular FormulaC8H16N4S2
Molecular Weight232.38 g/mol
Exact Mass232.08
IUPAC Name5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCCN(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)
InChIKeyWNTAOUDCEGWHPW-UHFFFAOYSA-N
XLogP1.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 9379516) is 5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(SCCN(C)C)s1.
What is the InChIKey of 5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WNTAOUDCEGWHPW-UHFFFAOYSA-N. 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).
What are the key properties of 5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 232.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 9379516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).