3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine

C7H13N3S2 — CID 20567631

IUPAC3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine
SMILESCc1snnc1CSCCCN
InChIInChI=1S/C7H13N3S2/c1-6-7(9-10-12-6)5-11-4-2-3-8/h2-5,8H2,1H3
InChIKeyUFSHLJSGFPYRBM-UHFFFAOYSA-N
MW203.34 g/mol
LogP1.43
Rot. Bonds5

About 3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine

3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine (PubChem CID 20567631) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is 3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine
PubChem CID20567631
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC Name3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine
SMILESCc1snnc1CSCCCN
InChIInChI=1S/C7H13N3S2/c1-6-7(9-10-12-6)5-11-4-2-3-8/h2-5,8H2,1H3
InChIKeyUFSHLJSGFPYRBM-UHFFFAOYSA-N
XLogP1.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 51.43
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 3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine?
The IUPAC name of 3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine (CID 20567631) is 3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine.
What is the SMILES notation for 3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine?
The canonical SMILES for 3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine is Cc1snnc1CSCCCN.
What is the InChIKey of 3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine?
The InChIKey is UFSHLJSGFPYRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-6-7(9-10-12-6)5-11-4-2-3-8/h2-5,8H2,1H3.
What are the key properties of 3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine?
3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine has a molecular weight of 203.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylthiadiazol-4-yl)methylsulfanyl]propan-1-amine is sourced from PubChem (CID 20567631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).