3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium

C7H15N4S2+ — CID 7107534

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium
SMILESC[NH+](C)CCCSc1nnc(N)s1
InChIInChI=1S/C7H14N4S2/c1-11(2)4-3-5-12-7-10-9-6(8)13-7/h3-5H2,1-2H3,(H2,8,9)/p+1
InChIKeyRROQWVYFDYMUJL-UHFFFAOYSA-O
MW219.36 g/mol
LogP-0.25
Rot. Bonds5

About 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium

3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium (PubChem CID 7107534) has the molecular formula C7H15N4S2+ and a molecular weight of 219.36 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium
PubChem CID7107534
Molecular FormulaC7H15N4S2+
Molecular Weight219.36 g/mol
Exact Mass219.07
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium
SMILESC[NH+](C)CCCSc1nnc(N)s1
InChIInChI=1S/C7H14N4S2/c1-11(2)4-3-5-12-7-10-9-6(8)13-7/h3-5H2,1-2H3,(H2,8,9)/p+1
InChIKeyRROQWVYFDYMUJL-UHFFFAOYSA-O
XLogP-0.25
TPSA56.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium (CID 7107534) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium is C[NH+](C)CCCSc1nnc(N)s1.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium?
The InChIKey is RROQWVYFDYMUJL-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N4S2/c1-11(2)4-3-5-12-7-10-9-6(8)13-7/h3-5H2,1-2H3,(H2,8,9)/p+1.
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium?
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium has a molecular weight of 219.36 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium is sourced from PubChem (CID 7107534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).