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

C8H15N3S — CID 114754147

IUPAC5-hexyl-1,2,4-thiadiazol-3-amine
SMILESCCCCCCc1nc(N)ns1
InChIInChI=1S/C8H15N3S/c1-2-3-4-5-6-7-10-8(9)11-12-7/h2-6H2,1H3,(H2,9,11)
InChIKeyZTYIVEXFWWJFQO-UHFFFAOYSA-N
MW185.30 g/mol
LogP2.24
Rot. Bonds5

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

5-hexyl-1,2,4-thiadiazol-3-amine (PubChem CID 114754147) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 5-hexyl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-hexyl-1,2,4-thiadiazol-3-amine
PubChem CID114754147
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name5-hexyl-1,2,4-thiadiazol-3-amine
SMILESCCCCCCc1nc(N)ns1
InChIInChI=1S/C8H15N3S/c1-2-3-4-5-6-7-10-8(9)11-12-7/h2-6H2,1H3,(H2,9,11)
InChIKeyZTYIVEXFWWJFQO-UHFFFAOYSA-N
XLogP2.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 52.24
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-[2-(dimethylamino)ethyl]-1,2,4-thiadiazol-3-amine
CID 82411773
6-octadecyl-1,3,5-triazine-2,4-diamine
CID 154108733
5-nonyl-1,3,4-thiadiazol-2-amine
CID 3866264
5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 66277904
4-nonadecylpyrimidin-2-amine
CID 141119145
5-hexylpyrimidine-2,4-diamine
CID 23086565
5-pentadecyl-1H-1,2,4-triazol-3-amine
CID 6421777
5-hexadecyl-1H-1,2,4-triazol-3-amine
CID 70261193
4-ethyl-2-hexyl-1,3-thiazole
CID 55271529
5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine
CID 107818817
2-octyl-4-propyl-1,3-thiazole
CID 86124626
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-hexyl-1,2,4-thiadiazol-3-amine (CID 114754147) is 5-hexyl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-hexyl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-hexyl-1,2,4-thiadiazol-3-amine is CCCCCCc1nc(N)ns1.
What is the InChIKey of 5-hexyl-1,2,4-thiadiazol-3-amine?
The InChIKey is ZTYIVEXFWWJFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-2-3-4-5-6-7-10-8(9)11-12-7/h2-6H2,1H3,(H2,9,11).
What are the key properties of 5-hexyl-1,2,4-thiadiazol-3-amine?
5-hexyl-1,2,4-thiadiazol-3-amine has a molecular weight of 185.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 114754147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).