5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride

C6H14Cl2N4S2 — CID 3063682

IUPAC5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCN(C)c1nnc(SCCN)s1.Cl.Cl
InChIInChI=1S/C6H12N4S2.2ClH/c1-10(2)5-8-9-6(12-5)11-4-3-7;;/h3-4,7H2,1-2H3;2*1H
InChIKeyXJCHGHUEIPOHEL-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.50
Rot. Bonds4

About 5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride

5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride (PubChem CID 3063682) has the molecular formula C6H14Cl2N4S2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride
PubChem CID3063682
Molecular FormulaC6H14Cl2N4S2
Molecular Weight277.25 g/mol
Exact Mass276.00
IUPAC Name5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCN(C)c1nnc(SCCN)s1.Cl.Cl
InChIInChI=1S/C6H12N4S2.2ClH/c1-10(2)5-8-9-6(12-5)11-4-3-7;;/h3-4,7H2,1-2H3;2*1H
InChIKeyXJCHGHUEIPOHEL-UHFFFAOYSA-N
XLogP1.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.50
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-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride?
The IUPAC name of 5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride (CID 3063682) is 5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride.
What is the SMILES notation for 5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride?
The canonical SMILES for 5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride is CN(C)c1nnc(SCCN)s1.Cl.Cl.
What is the InChIKey of 5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride?
The InChIKey is XJCHGHUEIPOHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S2.2ClH/c1-10(2)5-8-9-6(12-5)11-4-3-7;;/h3-4,7H2,1-2H3;2*1H.
What are the key properties of 5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride?
5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride has a molecular weight of 277.25 g/mol, XLogP of 1.50, 4 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-dimethyl-1,3,4-thiadiazol-2-amine;dihydrochloride is sourced from PubChem (CID 3063682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).