N-octyl-1,2,4-thiadiazol-5-amine

C10H19N3S — CID 115568955

IUPACN-octyl-1,2,4-thiadiazol-5-amine
SMILESCCCCCCCCNc1ncns1
InChIInChI=1S/C10H19N3S/c1-2-3-4-5-6-7-8-11-10-12-9-13-14-10/h9H,2-8H2,1H3,(H,11,12,13)
InChIKeyXZKABGMPRGRKFA-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.31
Rot. Bonds8

About N-octyl-1,2,4-thiadiazol-5-amine

N-octyl-1,2,4-thiadiazol-5-amine (PubChem CID 115568955) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-octyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-octyl-1,2,4-thiadiazol-5-amine
PubChem CID115568955
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-octyl-1,2,4-thiadiazol-5-amine
SMILESCCCCCCCCNc1ncns1
InChIInChI=1S/C10H19N3S/c1-2-3-4-5-6-7-8-11-10-12-9-13-14-10/h9H,2-8H2,1H3,(H,11,12,13)
InChIKeyXZKABGMPRGRKFA-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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'}

Analyze N-octyl-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen
CID 164869847
N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65272508
tert-butyl N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]carbamate
CID 115777406
N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide
CID 65271450
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
N-[2-(furan-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 164649587
4-bromo-N-octyl-1,3-thiazol-2-amine
CID 115568968
N-methyl-1,2,4-thiadiazol-5-amine;hydrochloride
CID 118342763
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274494
N'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65273687
2-(octylamino)-1,3-thiazole-5-carboxylic acid
CID 115565235
N-octyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305075

Frequently Asked Questions

What is the IUPAC name of N-octyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-octyl-1,2,4-thiadiazol-5-amine (CID 115568955) is N-octyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-octyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-octyl-1,2,4-thiadiazol-5-amine is CCCCCCCCNc1ncns1.
What is the InChIKey of N-octyl-1,2,4-thiadiazol-5-amine?
The InChIKey is XZKABGMPRGRKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-2-3-4-5-6-7-8-11-10-12-9-13-14-10/h9H,2-8H2,1H3,(H,11,12,13).
What are the key properties of N-octyl-1,2,4-thiadiazol-5-amine?
N-octyl-1,2,4-thiadiazol-5-amine has a molecular weight of 213.35 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115568955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).