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

C5H10N4S2 — CID 12788990

IUPAC5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNCCCSc1nnc(N)s1
InChIInChI=1S/C5H10N4S2/c6-2-1-3-10-5-9-8-4(7)11-5/h1-3,6H2,(H2,7,8)
InChIKeyVEGJKYFZYCUXDJ-UHFFFAOYSA-N
MW190.30 g/mol
LogP0.56
Rot. Bonds4

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

5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 12788990) has the molecular formula C5H10N4S2 and a molecular weight of 190.30 g/mol. Its IUPAC name is 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID12788990
Molecular FormulaC5H10N4S2
Molecular Weight190.30 g/mol
Exact Mass190.03
IUPAC Name5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNCCCSc1nnc(N)s1
InChIInChI=1S/C5H10N4S2/c6-2-1-3-10-5-9-8-4(7)11-5/h1-3,6H2,(H2,7,8)
InChIKeyVEGJKYFZYCUXDJ-UHFFFAOYSA-N
XLogP0.56
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.30
LogP ≤ 50.56
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?
The IUPAC name of 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 12788990) is 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine is NCCCSc1nnc(N)s1.
What is the InChIKey of 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VEGJKYFZYCUXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S2/c6-2-1-3-10-5-9-8-4(7)11-5/h1-3,6H2,(H2,7,8).
What are the key properties of 5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine?
5-(3-aminopropylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 190.30 g/mol, XLogP of 0.56, 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 is sourced from PubChem (CID 12788990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).