5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine

C8H16N4S2 — CID 94685775

IUPAC5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine
SMILESCCN(CC)c1nnc(SCCN)s1
InChIInChI=1S/C8H16N4S2/c1-3-12(4-2)7-10-11-8(14-7)13-6-5-9/h3-6,9H2,1-2H3
InChIKeySRRUBKBDASUADS-UHFFFAOYSA-N
MW232.38 g/mol
LogP1.44
Rot. Bonds6

About 5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine

5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine (PubChem CID 94685775) has the molecular formula C8H16N4S2 and a molecular weight of 232.38 g/mol. Its IUPAC name is 5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine
PubChem CID94685775
Molecular FormulaC8H16N4S2
Molecular Weight232.38 g/mol
Exact Mass232.08
IUPAC Name5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine
SMILESCCN(CC)c1nnc(SCCN)s1
InChIInChI=1S/C8H16N4S2/c1-3-12(4-2)7-10-11-8(14-7)13-6-5-9/h3-6,9H2,1-2H3
InChIKeySRRUBKBDASUADS-UHFFFAOYSA-N
XLogP1.44
TPSA55.04 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine (CID 94685775) is 5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine is CCN(CC)c1nnc(SCCN)s1.
What is the InChIKey of 5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SRRUBKBDASUADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S2/c1-3-12(4-2)7-10-11-8(14-7)13-6-5-9/h3-6,9H2,1-2H3.
What are the key properties of 5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine?
5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 232.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 94685775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).