2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine

C6H11N3S2 — CID 20567571

IUPAC2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine
SMILESCc1snnc1CSCCN
InChIInChI=1S/C6H11N3S2/c1-5-6(8-9-11-5)4-10-3-2-7/h2-4,7H2,1H3
InChIKeyVPIVBKHLDCNKFE-UHFFFAOYSA-N
MW189.31 g/mol
LogP1.04
Rot. Bonds4

About 2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine

2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine (PubChem CID 20567571) has the molecular formula C6H11N3S2 and a molecular weight of 189.31 g/mol. Its IUPAC name is 2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine
PubChem CID20567571
Molecular FormulaC6H11N3S2
Molecular Weight189.31 g/mol
Exact Mass189.04
IUPAC Name2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine
SMILESCc1snnc1CSCCN
InChIInChI=1S/C6H11N3S2/c1-5-6(8-9-11-5)4-10-3-2-7/h2-4,7H2,1H3
InChIKeyVPIVBKHLDCNKFE-UHFFFAOYSA-N
XLogP1.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
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 2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine?
The IUPAC name of 2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine (CID 20567571) is 2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine.
What is the SMILES notation for 2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine?
The canonical SMILES for 2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine is Cc1snnc1CSCCN.
What is the InChIKey of 2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine?
The InChIKey is VPIVBKHLDCNKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S2/c1-5-6(8-9-11-5)4-10-3-2-7/h2-4,7H2,1H3.
What are the key properties of 2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine?
2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine has a molecular weight of 189.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiadiazol-4-yl)methylsulfanyl]ethanamine is sourced from PubChem (CID 20567571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).