4-[10-(thiadiazol-4-yl)decyl]thiadiazole

C14H22N4S2 — CID 16751585

IUPAC4-[10-(thiadiazol-4-yl)decyl]thiadiazole
SMILESc1snnc1CCCCCCCCCCc1csnn1
InChIInChI=1S/C14H22N4S2/c1(3-5-7-9-13-11-19-17-15-13)2-4-6-8-10-14-12-20-18-16-14/h11-12H,1-10H2
InChIKeyNOCONORPMOWAGF-UHFFFAOYSA-N
MW310.49 g/mol
LogP4.30
Rot. Bonds11

About 4-[10-(thiadiazol-4-yl)decyl]thiadiazole

4-[10-(thiadiazol-4-yl)decyl]thiadiazole (PubChem CID 16751585) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 4-[10-(thiadiazol-4-yl)decyl]thiadiazole.

Molecular Properties

Compound Name4-[10-(thiadiazol-4-yl)decyl]thiadiazole
PubChem CID16751585
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC Name4-[10-(thiadiazol-4-yl)decyl]thiadiazole
SMILESc1snnc1CCCCCCCCCCc1csnn1
InChIInChI=1S/C14H22N4S2/c1(3-5-7-9-13-11-19-17-15-13)2-4-6-8-10-14-12-20-18-16-14/h11-12H,1-10H2
InChIKeyNOCONORPMOWAGF-UHFFFAOYSA-N
XLogP4.30
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
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-[10-(thiadiazol-4-yl)decyl]thiadiazole?
The IUPAC name of 4-[10-(thiadiazol-4-yl)decyl]thiadiazole (CID 16751585) is 4-[10-(thiadiazol-4-yl)decyl]thiadiazole.
What is the SMILES notation for 4-[10-(thiadiazol-4-yl)decyl]thiadiazole?
The canonical SMILES for 4-[10-(thiadiazol-4-yl)decyl]thiadiazole is c1snnc1CCCCCCCCCCc1csnn1.
What is the InChIKey of 4-[10-(thiadiazol-4-yl)decyl]thiadiazole?
The InChIKey is NOCONORPMOWAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1(3-5-7-9-13-11-19-17-15-13)2-4-6-8-10-14-12-20-18-16-14/h11-12H,1-10H2.
What are the key properties of 4-[10-(thiadiazol-4-yl)decyl]thiadiazole?
4-[10-(thiadiazol-4-yl)decyl]thiadiazole has a molecular weight of 310.49 g/mol, XLogP of 4.30, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(thiadiazol-4-yl)decyl]thiadiazole is sourced from PubChem (CID 16751585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).