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

C5H12Cl2N4S — CID 46786003

IUPAC5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCl.Cl.NCCCc1nnc(N)s1
InChIInChI=1S/C5H10N4S.2ClH/c6-3-1-2-4-8-9-5(7)10-4;;/h1-3,6H2,(H2,7,9);2*1H
InChIKeyJCZQSKCKZKFAOO-UHFFFAOYSA-N
MW231.15 g/mol
LogP0.86
Rot. Bonds3

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

5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride (PubChem CID 46786003) has the molecular formula C5H12Cl2N4S and a molecular weight of 231.15 g/mol. Its IUPAC name is 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride
PubChem CID46786003
Molecular FormulaC5H12Cl2N4S
Molecular Weight231.15 g/mol
Exact Mass230.02
IUPAC Name5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCl.Cl.NCCCc1nnc(N)s1
InChIInChI=1S/C5H10N4S.2ClH/c6-3-1-2-4-8-9-5(7)10-4;;/h1-3,6H2,(H2,7,9);2*1H
InChIKeyJCZQSKCKZKFAOO-UHFFFAOYSA-N
XLogP0.86
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The IUPAC name of 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride (CID 46786003) is 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride.
What is the SMILES notation for 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The canonical SMILES for 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride is Cl.Cl.NCCCc1nnc(N)s1.
What is the InChIKey of 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The InChIKey is JCZQSKCKZKFAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S.2ClH/c6-3-1-2-4-8-9-5(7)10-4;;/h1-3,6H2,(H2,7,9);2*1H.
What are the key properties of 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride has a molecular weight of 231.15 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride is sourced from PubChem (CID 46786003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).