5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride

C4H10Cl2N4S — CID 46786002

IUPAC5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCl.Cl.NCCc1nnc(N)s1
InChIInChI=1S/C4H8N4S.2ClH/c5-2-1-3-7-8-4(6)9-3;;/h1-2,5H2,(H2,6,8);2*1H
InChIKeySOSUVAHFGSAFIZ-UHFFFAOYSA-N
MW217.12 g/mol
LogP0.47
Rot. Bonds2

About 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride

5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride (PubChem CID 46786002) has the molecular formula C4H10Cl2N4S and a molecular weight of 217.12 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride
PubChem CID46786002
Molecular FormulaC4H10Cl2N4S
Molecular Weight217.12 g/mol
Exact Mass216.00
IUPAC Name5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCl.Cl.NCCc1nnc(N)s1
InChIInChI=1S/C4H8N4S.2ClH/c5-2-1-3-7-8-4(6)9-3;;/h1-2,5H2,(H2,6,8);2*1H
InChIKeySOSUVAHFGSAFIZ-UHFFFAOYSA-N
XLogP0.47
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.12
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The IUPAC name of 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride (CID 46786002) is 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride.
What is the SMILES notation for 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The canonical SMILES for 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride is Cl.Cl.NCCc1nnc(N)s1.
What is the InChIKey of 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The InChIKey is SOSUVAHFGSAFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S.2ClH/c5-2-1-3-7-8-4(6)9-3;;/h1-2,5H2,(H2,6,8);2*1H.
What are the key properties of 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride has a molecular weight of 217.12 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride is sourced from PubChem (CID 46786002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).