4-(4-methylthiadiazol-5-yl)butan-1-amine

C7H13N3S — CID 82412015

IUPAC4-(4-methylthiadiazol-5-yl)butan-1-amine
SMILESCc1nnsc1CCCCN
InChIInChI=1S/C7H13N3S/c1-6-7(11-10-9-6)4-2-3-5-8/h2-5,8H2,1H3
InChIKeyCGDZPLCBXAOSQA-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.13
Rot. Bonds4

About 4-(4-methylthiadiazol-5-yl)butan-1-amine

4-(4-methylthiadiazol-5-yl)butan-1-amine (PubChem CID 82412015) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 4-(4-methylthiadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methylthiadiazol-5-yl)butan-1-amine
PubChem CID82412015
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name4-(4-methylthiadiazol-5-yl)butan-1-amine
SMILESCc1nnsc1CCCCN
InChIInChI=1S/C7H13N3S/c1-6-7(11-10-9-6)4-2-3-5-8/h2-5,8H2,1H3
InChIKeyCGDZPLCBXAOSQA-UHFFFAOYSA-N
XLogP1.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.13
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-(4-methylthiadiazol-5-yl)butan-1-amine?
The IUPAC name of 4-(4-methylthiadiazol-5-yl)butan-1-amine (CID 82412015) is 4-(4-methylthiadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 4-(4-methylthiadiazol-5-yl)butan-1-amine?
The canonical SMILES for 4-(4-methylthiadiazol-5-yl)butan-1-amine is Cc1nnsc1CCCCN.
What is the InChIKey of 4-(4-methylthiadiazol-5-yl)butan-1-amine?
The InChIKey is CGDZPLCBXAOSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-6-7(11-10-9-6)4-2-3-5-8/h2-5,8H2,1H3.
What are the key properties of 4-(4-methylthiadiazol-5-yl)butan-1-amine?
4-(4-methylthiadiazol-5-yl)butan-1-amine has a molecular weight of 171.27 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylthiadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 82412015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).