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

C6H12N4S2 — CID 3063683

IUPAC5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCN)s1
InChIInChI=1S/C6H12N4S2/c1-10(2)5-8-9-6(12-5)11-4-3-7/h3-4,7H2,1-2H3
InChIKeyMGDOILDDSXSUQF-UHFFFAOYSA-N
MW204.32 g/mol
LogP0.65
Rot. Bonds4

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

5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 3063683) has the molecular formula C6H12N4S2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID3063683
Molecular FormulaC6H12N4S2
Molecular Weight204.32 g/mol
Exact Mass204.05
IUPAC Name5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCN)s1
InChIInChI=1S/C6H12N4S2/c1-10(2)5-8-9-6(12-5)11-4-3-7/h3-4,7H2,1-2H3
InChIKeyMGDOILDDSXSUQF-UHFFFAOYSA-N
XLogP0.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 50.65
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?
The IUPAC name of 5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 3063683) is 5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCCN)s1.
What is the InChIKey of 5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MGDOILDDSXSUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S2/c1-10(2)5-8-9-6(12-5)11-4-3-7/h3-4,7H2,1-2H3.
What are the key properties of 5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 204.32 g/mol, XLogP of 0.65, 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 is sourced from PubChem (CID 3063683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).