5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine

C10H20N4S — CID 66277904

IUPAC5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine
SMILESCCCCCCC(C)Nc1nc(N)ns1
InChIInChI=1S/C10H20N4S/c1-3-4-5-6-7-8(2)12-10-13-9(11)14-15-10/h8H,3-7H2,1-2H3,(H3,11,12,13,14)
InChIKeyYKUXHRBXTFXEGC-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.89
Rot. Bonds7

About 5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine

5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66277904) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine
PubChem CID66277904
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine
SMILESCCCCCCC(C)Nc1nc(N)ns1
InChIInChI=1S/C10H20N4S/c1-3-4-5-6-7-8(2)12-10-13-9(11)14-15-10/h8H,3-7H2,1-2H3,(H3,11,12,13,14)
InChIKeyYKUXHRBXTFXEGC-UHFFFAOYSA-N
XLogP2.89
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N-butan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 66279643
3-tert-butyl-N-octan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276939
5-N-[1-(diethylamino)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine
CID 66280981
N-hexan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304897
5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine
CID 107818817
4-ethoxy-5-N-octan-2-yl-1,2-thiazole-3,5-diamine
CID 103360011
3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
CID 130992696
2-amino-2-[2-(octan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527631
6-chloro-4-N-octan-2-ylpyrimidine-2,4-diamine
CID 78971534
6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine
CID 80801244
4-N-heptan-2-ylpyrimidine-2,4-diamine
CID 80803742
6-N-octan-2-ylpyridine-2,6-diamine
CID 80648074

Frequently Asked Questions

What is the IUPAC name of 5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine (CID 66277904) is 5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine is CCCCCCC(C)Nc1nc(N)ns1.
What is the InChIKey of 5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is YKUXHRBXTFXEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-3-4-5-6-7-8(2)12-10-13-9(11)14-15-10/h8H,3-7H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine?
5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 228.36 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66277904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).