4-(1,2,4-thiadiazol-5-yl)butan-1-amine

C6H11N3S — CID 82415865

IUPAC4-(1,2,4-thiadiazol-5-yl)butan-1-amine
SMILESNCCCCc1ncns1
InChIInChI=1S/C6H11N3S/c7-4-2-1-3-6-8-5-9-10-6/h5H,1-4,7H2
InChIKeyWEPRSPSVTCLKJF-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.82
Rot. Bonds4

About 4-(1,2,4-thiadiazol-5-yl)butan-1-amine

4-(1,2,4-thiadiazol-5-yl)butan-1-amine (PubChem CID 82415865) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 4-(1,2,4-thiadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-(1,2,4-thiadiazol-5-yl)butan-1-amine
PubChem CID82415865
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name4-(1,2,4-thiadiazol-5-yl)butan-1-amine
SMILESNCCCCc1ncns1
InChIInChI=1S/C6H11N3S/c7-4-2-1-3-6-8-5-9-10-6/h5H,1-4,7H2
InChIKeyWEPRSPSVTCLKJF-UHFFFAOYSA-N
XLogP0.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(1,2,4-thiadiazol-5-yl)butan-1-amine?
The IUPAC name of 4-(1,2,4-thiadiazol-5-yl)butan-1-amine (CID 82415865) is 4-(1,2,4-thiadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 4-(1,2,4-thiadiazol-5-yl)butan-1-amine?
The canonical SMILES for 4-(1,2,4-thiadiazol-5-yl)butan-1-amine is NCCCCc1ncns1.
What is the InChIKey of 4-(1,2,4-thiadiazol-5-yl)butan-1-amine?
The InChIKey is WEPRSPSVTCLKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c7-4-2-1-3-6-8-5-9-10-6/h5H,1-4,7H2.
What are the key properties of 4-(1,2,4-thiadiazol-5-yl)butan-1-amine?
4-(1,2,4-thiadiazol-5-yl)butan-1-amine has a molecular weight of 157.24 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-thiadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 82415865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).