2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol

C12H23N3OS2 — CID 106811158

IUPAC2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol
SMILESCCc1nsc(SCCCC(CC)(CO)NC)n1
InChIInChI=1S/C12H23N3OS2/c1-4-10-14-11(18-15-10)17-8-6-7-12(5-2,9-16)13-3/h13,16H,4-9H2,1-3H3
InChIKeyALCIUSOAGLFGES-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.33
Rot. Bonds9

About 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol

2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol (PubChem CID 106811158) has the molecular formula C12H23N3OS2 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol
PubChem CID106811158
Molecular FormulaC12H23N3OS2
Molecular Weight289.47 g/mol
Exact Mass289.13
IUPAC Name2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol
SMILESCCc1nsc(SCCCC(CC)(CO)NC)n1
InChIInChI=1S/C12H23N3OS2/c1-4-10-14-11(18-15-10)17-8-6-7-12(5-2,9-16)13-3/h13,16H,4-9H2,1-3H3
InChIKeyALCIUSOAGLFGES-UHFFFAOYSA-N
XLogP2.33
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 80424924
[2-[2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 80424949
[1-(Ethylamino)-2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 80432228
2-(Ethylamino)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
CID 80432229
4-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)butan-1-ol
CID 80432231
2-(Cyclopropylamino)-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylhexan-1-ol
CID 80432232
2-Methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(propan-2-ylamino)hexan-1-ol
CID 80432234
2-(Cyclopropylamino)-2-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
CID 80432235
2-Methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol
CID 80432236
[1-(Ethylamino)-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]cyclohexyl]methanol
CID 80432242
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methyl-2-(propylamino)propan-1-ol
CID 80432283
[3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(methylamino)cyclohexyl]methanol
CID 80432284

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol (CID 106811158) is 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol is CCc1nsc(SCCCC(CC)(CO)NC)n1.
What is the InChIKey of 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol?
The InChIKey is ALCIUSOAGLFGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS2/c1-4-10-14-11(18-15-10)17-8-6-7-12(5-2,9-16)13-3/h13,16H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol?
2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol has a molecular weight of 289.47 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 106811158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).