5-nonyl-1,3,4-thiadiazol-2-amine

C11H21N3S — CID 3866264

IUPAC5-nonyl-1,3,4-thiadiazol-2-amine
SMILESCCCCCCCCCc1nnc(N)s1
InChIInChI=1S/C11H21N3S/c1-2-3-4-5-6-7-8-9-10-13-14-11(12)15-10/h2-9H2,1H3,(H2,12,14)
InChIKeyUXGCJGDBDKTWID-UHFFFAOYSA-N
MW227.38 g/mol
LogP3.41
Rot. Bonds8

About 5-nonyl-1,3,4-thiadiazol-2-amine

5-nonyl-1,3,4-thiadiazol-2-amine (PubChem CID 3866264) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 5-nonyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-nonyl-1,3,4-thiadiazol-2-amine
PubChem CID3866264
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name5-nonyl-1,3,4-thiadiazol-2-amine
SMILESCCCCCCCCCc1nnc(N)s1
InChIInChI=1S/C11H21N3S/c1-2-3-4-5-6-7-8-9-10-13-14-11(12)15-10/h2-9H2,1H3,(H2,12,14)
InChIKeyUXGCJGDBDKTWID-UHFFFAOYSA-N
XLogP3.41
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine
CID 123706975
2-heptyl-5-methyl-1,3,4-thiadiazole
CID 139417384
2-bromo-5-nonyl-1,3,4-thiadiazole
CID 65426621
5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80609028
5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608321
5-(3-ethylpentyl)-1,3,4-thiadiazol-2-amine
CID 10241878
5-pent-4-ynyl-1,3,4-thiadiazol-2-amine
CID 118620873
5-(3,3-dimethylbutyl)-1,3,4-thiadiazol-2-amine
CID 10442417
2-dodecyl-5-(trisulfanyl)-1,3,4-thiadiazole
CID 88603492
5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine
CID 123312325
N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
CID 114754233
O-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)ethanethioate
CID 141438698

Frequently Asked Questions

What is the IUPAC name of 5-nonyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-nonyl-1,3,4-thiadiazol-2-amine (CID 3866264) is 5-nonyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-nonyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-nonyl-1,3,4-thiadiazol-2-amine is CCCCCCCCCc1nnc(N)s1.
What is the InChIKey of 5-nonyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UXGCJGDBDKTWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-2-3-4-5-6-7-8-9-10-13-14-11(12)15-10/h2-9H2,1H3,(H2,12,14).
What are the key properties of 5-nonyl-1,3,4-thiadiazol-2-amine?
5-nonyl-1,3,4-thiadiazol-2-amine has a molecular weight of 227.38 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nonyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3866264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).