2-bromo-5-nonyl-1,3,4-thiadiazole

C11H19BrN2S — CID 65426621

IUPAC2-bromo-5-nonyl-1,3,4-thiadiazole
SMILESCCCCCCCCCc1nnc(Br)s1
InChIInChI=1S/C11H19BrN2S/c1-2-3-4-5-6-7-8-9-10-13-14-11(12)15-10/h2-9H2,1H3
InChIKeyYWHDNZGLWVDHCC-UHFFFAOYSA-N
MW291.26 g/mol
LogP4.59
Rot. Bonds8

About 2-bromo-5-nonyl-1,3,4-thiadiazole

2-bromo-5-nonyl-1,3,4-thiadiazole (PubChem CID 65426621) has the molecular formula C11H19BrN2S and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-bromo-5-nonyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-nonyl-1,3,4-thiadiazole
PubChem CID65426621
Molecular FormulaC11H19BrN2S
Molecular Weight291.26 g/mol
Exact Mass290.05
IUPAC Name2-bromo-5-nonyl-1,3,4-thiadiazole
SMILESCCCCCCCCCc1nnc(Br)s1
InChIInChI=1S/C11H19BrN2S/c1-2-3-4-5-6-7-8-9-10-13-14-11(12)15-10/h2-9H2,1H3
InChIKeyYWHDNZGLWVDHCC-UHFFFAOYSA-N
XLogP4.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 54.59
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

2-heptyl-5-methyl-1,3,4-thiadiazole
CID 139417384
5-nonyl-1,3,4-thiadiazol-2-amine
CID 3866264
2-dodecyl-5-(trisulfanyl)-1,3,4-thiadiazole
CID 88603492
N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
CID 114754233
5-bromo-2-undecyl-1,3-thiazole
CID 147585581
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
2-heptyl-5-[1,3,4,5,7,8-hexachloro-6-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole
CID 58037317
3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 114754218
2-heptyl-5-[1,3,4,5,7,8-hexachloro-6-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole
CID 58037341
2,5-dibromo-3,4-didecylthiophene
CID 59856343
4,6-dibromo-2-heptadecylselenopheno[3,4-d][1,3]thiazole
CID 142739376
2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole
CID 58037405

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-nonyl-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-nonyl-1,3,4-thiadiazole (CID 65426621) is 2-bromo-5-nonyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-nonyl-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-nonyl-1,3,4-thiadiazole is CCCCCCCCCc1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-nonyl-1,3,4-thiadiazole?
The InChIKey is YWHDNZGLWVDHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2S/c1-2-3-4-5-6-7-8-9-10-13-14-11(12)15-10/h2-9H2,1H3.
What are the key properties of 2-bromo-5-nonyl-1,3,4-thiadiazole?
2-bromo-5-nonyl-1,3,4-thiadiazole has a molecular weight of 291.26 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-nonyl-1,3,4-thiadiazole is sourced from PubChem (CID 65426621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).