5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide

C5H12Br2N4S2 — CID 20557861

IUPAC5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide
SMILESBr.Br.NCCCSc1nnc(N)s1
InChIInChI=1S/C5H10N4S2.2BrH/c6-2-1-3-10-5-9-8-4(7)11-5;;/h1-3,6H2,(H2,7,8);2*1H
InChIKeyYBGBLUZGGUPDLC-UHFFFAOYSA-N
MW352.12 g/mol
LogP1.72
Rot. Bonds4

About 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide

5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide (PubChem CID 20557861) has the molecular formula C5H12Br2N4S2 and a molecular weight of 352.12 g/mol. Its IUPAC name is 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide.

Molecular Properties

Compound Name5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide
PubChem CID20557861
Molecular FormulaC5H12Br2N4S2
Molecular Weight352.12 g/mol
Exact Mass349.89
IUPAC Name5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide
SMILESBr.Br.NCCCSc1nnc(N)s1
InChIInChI=1S/C5H10N4S2.2BrH/c6-2-1-3-10-5-9-8-4(7)11-5;;/h1-3,6H2,(H2,7,8);2*1H
InChIKeyYBGBLUZGGUPDLC-UHFFFAOYSA-N
XLogP1.72
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.12
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide?
The IUPAC name of 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide (CID 20557861) is 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide.
What is the SMILES notation for 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide?
The canonical SMILES for 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide is Br.Br.NCCCSc1nnc(N)s1.
What is the InChIKey of 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide?
The InChIKey is YBGBLUZGGUPDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S2.2BrH/c6-2-1-3-10-5-9-8-4(7)11-5;;/h1-3,6H2,(H2,7,8);2*1H.
What are the key properties of 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide?
5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide has a molecular weight of 352.12 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine;dihydrobromide is sourced from PubChem (CID 20557861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).