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

C10H19N3O2S — CID 62194288

IUPAC4-(2-butoxyethoxymethyl)-N-methylthiadiazol-5-amine
SMILESCCCCOCCOCc1nnsc1NC
InChIInChI=1S/C10H19N3O2S/c1-3-4-5-14-6-7-15-8-9-10(11-2)16-13-12-9/h11H,3-8H2,1-2H3
InChIKeyONLDSSZJQOPECG-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.91
Rot. Bonds9

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

4-(2-butoxyethoxymethyl)-N-methylthiadiazol-5-amine (PubChem CID 62194288) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(2-butoxyethoxymethyl)-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(2-butoxyethoxymethyl)-N-methylthiadiazol-5-amine
PubChem CID62194288
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name4-(2-butoxyethoxymethyl)-N-methylthiadiazol-5-amine
SMILESCCCCOCCOCc1nnsc1NC
InChIInChI=1S/C10H19N3O2S/c1-3-4-5-14-6-7-15-8-9-10(11-2)16-13-12-9/h11H,3-8H2,1-2H3
InChIKeyONLDSSZJQOPECG-UHFFFAOYSA-N
XLogP1.91
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.91
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-butoxyethoxymethyl)-N-methylthiadiazol-5-amine?
The IUPAC name of 4-(2-butoxyethoxymethyl)-N-methylthiadiazol-5-amine (CID 62194288) is 4-(2-butoxyethoxymethyl)-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-(2-butoxyethoxymethyl)-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-(2-butoxyethoxymethyl)-N-methylthiadiazol-5-amine is CCCCOCCOCc1nnsc1NC.
What is the InChIKey of 4-(2-butoxyethoxymethyl)-N-methylthiadiazol-5-amine?
The InChIKey is ONLDSSZJQOPECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-3-4-5-14-6-7-15-8-9-10(11-2)16-13-12-9/h11H,3-8H2,1-2H3.
What are the key properties of 4-(2-butoxyethoxymethyl)-N-methylthiadiazol-5-amine?
4-(2-butoxyethoxymethyl)-N-methylthiadiazol-5-amine has a molecular weight of 245.35 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxymethyl)-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62194288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).