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

C8H16N4S — CID 96657039

IUPAC5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine
SMILESCCN(CC)c1nnc(CCN)s1
InChIInChI=1S/C8H16N4S/c1-3-12(4-2)8-11-10-7(13-8)5-6-9/h3-6,9H2,1-2H3
InChIKeyFHHMCBSAKKKPIV-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.89
Rot. Bonds5

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

5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine (PubChem CID 96657039) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine
PubChem CID96657039
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine
SMILESCCN(CC)c1nnc(CCN)s1
InChIInChI=1S/C8H16N4S/c1-3-12(4-2)8-11-10-7(13-8)5-6-9/h3-6,9H2,1-2H3
InChIKeyFHHMCBSAKKKPIV-UHFFFAOYSA-N
XLogP0.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethylsulfanyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine
CID 94685775
5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine
CID 96663376
5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine
CID 18801628
2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole
CID 82176491
2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 114823788
2-[[5-(diethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
CID 94685013
2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine
CID 65280810
N'-propyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 114449487
2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 65208612
2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 28812164
5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 98017566
2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107185489

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine (CID 96657039) is 5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine is CCN(CC)c1nnc(CCN)s1.
What is the InChIKey of 5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FHHMCBSAKKKPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-3-12(4-2)8-11-10-7(13-8)5-6-9/h3-6,9H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine?
5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 200.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 96657039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).