4-nonylthiadiazole

C11H20N2S — CID 57108156

IUPAC4-nonylthiadiazole
SMILESCCCCCCCCCc1csnn1
InChIInChI=1S/C11H20N2S/c1-2-3-4-5-6-7-8-9-11-10-14-13-12-11/h10H,2-9H2,1H3
InChIKeyKVMVXZUWJJWDDO-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.83
Rot. Bonds8

About 4-nonylthiadiazole

4-nonylthiadiazole (PubChem CID 57108156) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 4-nonylthiadiazole.

Molecular Properties

Compound Name4-nonylthiadiazole
PubChem CID57108156
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name4-nonylthiadiazole
SMILESCCCCCCCCCc1csnn1
InChIInChI=1S/C11H20N2S/c1-2-3-4-5-6-7-8-9-11-10-14-13-12-11/h10H,2-9H2,1H3
InChIKeyKVMVXZUWJJWDDO-UHFFFAOYSA-N
XLogP3.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-nonylthiadiazole?
The IUPAC name of 4-nonylthiadiazole (CID 57108156) is 4-nonylthiadiazole.
What is the SMILES notation for 4-nonylthiadiazole?
The canonical SMILES for 4-nonylthiadiazole is CCCCCCCCCc1csnn1.
What is the InChIKey of 4-nonylthiadiazole?
The InChIKey is KVMVXZUWJJWDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-3-4-5-6-7-8-9-11-10-14-13-12-11/h10H,2-9H2,1H3.
What are the key properties of 4-nonylthiadiazole?
4-nonylthiadiazole has a molecular weight of 212.36 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonylthiadiazole is sourced from PubChem (CID 57108156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).