4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine

C7H13N3OS2 — CID 62187538

IUPAC4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CSCCOC
InChIInChI=1S/C7H13N3OS2/c1-8-7-6(9-10-13-7)5-12-4-3-11-2/h8H,3-5H2,1-2H3
InChIKeyGNWRPHWJFRUMNJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.46
Rot. Bonds6

About 4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine

4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine (PubChem CID 62187538) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine
PubChem CID62187538
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CSCCOC
InChIInChI=1S/C7H13N3OS2/c1-8-7-6(9-10-13-7)5-12-4-3-11-2/h8H,3-5H2,1-2H3
InChIKeyGNWRPHWJFRUMNJ-UHFFFAOYSA-N
XLogP1.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine?
The IUPAC name of 4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine (CID 62187538) is 4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine is CNc1snnc1CSCCOC.
What is the InChIKey of 4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine?
The InChIKey is GNWRPHWJFRUMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-8-7-6(9-10-13-7)5-12-4-3-11-2/h8H,3-5H2,1-2H3.
What are the key properties of 4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine?
4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine has a molecular weight of 219.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62187538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).