4-undecylthiadiazole

C13H24N2S — CID 146168283

IUPAC4-undecylthiadiazole
SMILESCCCCCCCCCCCc1csnn1
InChIInChI=1S/C13H24N2S/c1-2-3-4-5-6-7-8-9-10-11-13-12-16-15-14-13/h12H,2-11H2,1H3
InChIKeyBMMFMUVIQCQYPQ-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.61
Rot. Bonds10

About 4-undecylthiadiazole

4-undecylthiadiazole (PubChem CID 146168283) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 4-undecylthiadiazole.

Molecular Properties

Compound Name4-undecylthiadiazole
PubChem CID146168283
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name4-undecylthiadiazole
SMILESCCCCCCCCCCCc1csnn1
InChIInChI=1S/C13H24N2S/c1-2-3-4-5-6-7-8-9-10-11-13-12-16-15-14-13/h12H,2-11H2,1H3
InChIKeyBMMFMUVIQCQYPQ-UHFFFAOYSA-N
XLogP4.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.61
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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Related Compounds

4-butylthiadiazole
CID 19903308
4-[10-(thiadiazol-4-yl)decyl]thiadiazole
CID 16751585
4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 141353675
4-heptyl-1,3-thiazole;octane
CID 91422595
2-bromo-4-hexyl-1,3-thiazole
CID 68801320
4,6-dihexadecylpyrimidine
CID 91309058
2,6-didodecylpyridine
CID 90943274
4,6-di(pentadecyl)pyrimidine
CID 91242686
4,6-di(tridecyl)pyrimidine
CID 91541522
4-ethyl-2-hexyl-1,3-thiazole
CID 55271529
2-ethyl-4-pentyl-1,3-thiazole
CID 130290438
1-(thiadiazol-4-yl)octylhydrazine
CID 105293500

Frequently Asked Questions

What is the IUPAC name of 4-undecylthiadiazole?
The IUPAC name of 4-undecylthiadiazole (CID 146168283) is 4-undecylthiadiazole.
What is the SMILES notation for 4-undecylthiadiazole?
The canonical SMILES for 4-undecylthiadiazole is CCCCCCCCCCCc1csnn1.
What is the InChIKey of 4-undecylthiadiazole?
The InChIKey is BMMFMUVIQCQYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-2-3-4-5-6-7-8-9-10-11-13-12-16-15-14-13/h12H,2-11H2,1H3.
What are the key properties of 4-undecylthiadiazole?
4-undecylthiadiazole has a molecular weight of 240.42 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-undecylthiadiazole is sourced from PubChem (CID 146168283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).