5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine

C10H15N5S2 — CID 123706975

IUPAC5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(CCCCc2nnc(N)s2)s1
InChIInChI=1S/C10H15N5S2/c1-2-7-12-13-8(16-7)5-3-4-6-9-14-15-10(11)17-9/h2-6H2,1H3,(H2,11,15)
InChIKeyRXZDWJHHMQZTET-UHFFFAOYSA-N
MW269.40 g/mol
LogP2.10
Rot. Bonds6

About 5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine

5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine (PubChem CID 123706975) has the molecular formula C10H15N5S2 and a molecular weight of 269.40 g/mol. Its IUPAC name is 5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine
PubChem CID123706975
Molecular FormulaC10H15N5S2
Molecular Weight269.40 g/mol
Exact Mass269.08
IUPAC Name5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(CCCCc2nnc(N)s2)s1
InChIInChI=1S/C10H15N5S2/c1-2-7-12-13-8(16-7)5-3-4-6-9-14-15-10(11)17-9/h2-6H2,1H3,(H2,11,15)
InChIKeyRXZDWJHHMQZTET-UHFFFAOYSA-N
XLogP2.10
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine (CID 123706975) is 5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine is CCc1nnc(CCCCc2nnc(N)s2)s1.
What is the InChIKey of 5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RXZDWJHHMQZTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S2/c1-2-7-12-13-8(16-7)5-3-4-6-9-14-15-10(11)17-9/h2-6H2,1H3,(H2,11,15).
What are the key properties of 5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine?
5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 269.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 123706975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).