N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine

C12H23N3S2 — CID 106808506

IUPACN-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine
SMILESCCNC(CC)CCCSc1nc(CC)ns1
InChIInChI=1S/C12H23N3S2/c1-4-10(13-6-3)8-7-9-16-12-14-11(5-2)15-17-12/h10,13H,4-9H2,1-3H3
InChIKeyOXORYLKHNVZTOL-UHFFFAOYSA-N
MW273.47 g/mol
LogP3.36
Rot. Bonds9

About N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine

N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine (PubChem CID 106808506) has the molecular formula C12H23N3S2 and a molecular weight of 273.47 g/mol. Its IUPAC name is N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine
PubChem CID106808506
Molecular FormulaC12H23N3S2
Molecular Weight273.47 g/mol
Exact Mass273.13
IUPAC NameN-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine
SMILESCCNC(CC)CCCSc1nc(CC)ns1
InChIInChI=1S/C12H23N3S2/c1-4-10(13-6-3)8-7-9-16-12-14-11(5-2)15-17-12/h10,13H,4-9H2,1-3H3
InChIKeyOXORYLKHNVZTOL-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine
CID 80425493
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4,4,4-trifluorobutan-2-amine
CID 80425507
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 80429531
N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethyl]-2,2,2-trifluoroethanamine
CID 80429803
Ethane;3-ethyl-5-(3-piperazin-1-ylpropylsulfanyl)-1,2,4-thiadiazole
CID 162753392
N-(3-methylsulfanylpropyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65273760
4-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5,5-dimethylhexan-3-amine
CID 80425272
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3,3-dimethylbutan-1-amine
CID 80425275
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4,4-dimethylpentan-2-amine
CID 80425452
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-amine
CID 80425913
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine
CID 80425947
4-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]cyclohexan-1-amine
CID 80425977

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine?
The IUPAC name of N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine (CID 106808506) is N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine.
What is the SMILES notation for N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine?
The canonical SMILES for N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine is CCNC(CC)CCCSc1nc(CC)ns1.
What is the InChIKey of N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine?
The InChIKey is OXORYLKHNVZTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S2/c1-4-10(13-6-3)8-7-9-16-12-14-11(5-2)15-17-12/h10,13H,4-9H2,1-3H3.
What are the key properties of N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine?
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine has a molecular weight of 273.47 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine is sourced from PubChem (CID 106808506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).