N-octan-2-yl-1,2,4-thiadiazol-5-amine

C10H19N3S — CID 65276940

IUPACN-octan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCCCCCC(C)Nc1ncns1
InChIInChI=1S/C10H19N3S/c1-3-4-5-6-7-9(2)13-10-11-8-12-14-10/h8-9H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyYRGXLMCWTRAXPO-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.31
Rot. Bonds7

About N-octan-2-yl-1,2,4-thiadiazol-5-amine

N-octan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65276940) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-octan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-octan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65276940
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-octan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCCCCCC(C)Nc1ncns1
InChIInChI=1S/C10H19N3S/c1-3-4-5-6-7-9(2)13-10-11-8-12-14-10/h8-9H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyYRGXLMCWTRAXPO-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.31
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

N-(3-fluorocyclopentyl)-1,2,4-thiadiazol-5-amine
CID 130742298
N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine
CID 131185858
N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine
CID 131198079
N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268484
N-propyl-1,2,4-thiadiazol-5-amine
CID 65268873
N-pentyl-1,2,4-thiadiazol-5-amine
CID 65271368
N-pentyl-1,2,4-thiadiazol-3-amine
CID 67847364
5-N-butyl-3-N-cyclododecyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
CID 10133530
3-N-cyclododecyl-5-N-methyl-5-N-octadecyl-1,2,4-thiadiazole-3,5-diamine
CID 10302730
3-methyl-N-octan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268324
N'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270802
N-cycloheptyl-1,2,4-thiadiazol-5-amine
CID 65270924

Frequently Asked Questions

What is the IUPAC name of N-octan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-octan-2-yl-1,2,4-thiadiazol-5-amine (CID 65276940) is N-octan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-octan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-octan-2-yl-1,2,4-thiadiazol-5-amine is CCCCCCC(C)Nc1ncns1.
What is the InChIKey of N-octan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is YRGXLMCWTRAXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-3-4-5-6-7-9(2)13-10-11-8-12-14-10/h8-9H,3-7H2,1-2H3,(H,11,12,13).
What are the key properties of N-octan-2-yl-1,2,4-thiadiazol-5-amine?
N-octan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 213.35 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).