5-(butoxymethyl)-4-methylthiadiazole

C8H14N2OS — CID 86194181

IUPAC5-(butoxymethyl)-4-methylthiadiazole
SMILESCCCCOCc1snnc1C
InChIInChI=1S/C8H14N2OS/c1-3-4-5-11-6-8-7(2)9-10-12-8/h3-6H2,1-2H3
InChIKeyKTWHLEPHBCMBRR-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.16
Rot. Bonds5

About 5-(butoxymethyl)-4-methylthiadiazole

5-(butoxymethyl)-4-methylthiadiazole (PubChem CID 86194181) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 5-(butoxymethyl)-4-methylthiadiazole.

Molecular Properties

Compound Name5-(butoxymethyl)-4-methylthiadiazole
PubChem CID86194181
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name5-(butoxymethyl)-4-methylthiadiazole
SMILESCCCCOCc1snnc1C
InChIInChI=1S/C8H14N2OS/c1-3-4-5-11-6-8-7(2)9-10-12-8/h3-6H2,1-2H3
InChIKeyKTWHLEPHBCMBRR-UHFFFAOYSA-N
XLogP2.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
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 5-(butoxymethyl)-4-methylthiadiazole?
The IUPAC name of 5-(butoxymethyl)-4-methylthiadiazole (CID 86194181) is 5-(butoxymethyl)-4-methylthiadiazole.
What is the SMILES notation for 5-(butoxymethyl)-4-methylthiadiazole?
The canonical SMILES for 5-(butoxymethyl)-4-methylthiadiazole is CCCCOCc1snnc1C.
What is the InChIKey of 5-(butoxymethyl)-4-methylthiadiazole?
The InChIKey is KTWHLEPHBCMBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-4-5-11-6-8-7(2)9-10-12-8/h3-6H2,1-2H3.
What are the key properties of 5-(butoxymethyl)-4-methylthiadiazole?
5-(butoxymethyl)-4-methylthiadiazole has a molecular weight of 186.28 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butoxymethyl)-4-methylthiadiazole is sourced from PubChem (CID 86194181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).