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

C11H22N4OS — CID 107204436

IUPAC5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol
SMILESCCNc1nnc(CN(C)CCCCCO)s1
InChIInChI=1S/C11H22N4OS/c1-3-12-11-14-13-10(17-11)9-15(2)7-5-4-6-8-16/h16H,3-9H2,1-2H3,(H,12,14)
InChIKeyVUIQLQHIDIHFDI-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.56
Rot. Bonds9

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

5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol (PubChem CID 107204436) has the molecular formula C11H22N4OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol
PubChem CID107204436
Molecular FormulaC11H22N4OS
Molecular Weight258.39 g/mol
Exact Mass258.15
IUPAC Name5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol
SMILESCCNc1nnc(CN(C)CCCCCO)s1
InChIInChI=1S/C11H22N4OS/c1-3-12-11-14-13-10(17-11)9-15(2)7-5-4-6-8-16/h16H,3-9H2,1-2H3,(H,12,14)
InChIKeyVUIQLQHIDIHFDI-UHFFFAOYSA-N
XLogP1.56
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol?
The IUPAC name of 5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol (CID 107204436) is 5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol is CCNc1nnc(CN(C)CCCCCO)s1.
What is the InChIKey of 5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol?
The InChIKey is VUIQLQHIDIHFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4OS/c1-3-12-11-14-13-10(17-11)9-15(2)7-5-4-6-8-16/h16H,3-9H2,1-2H3,(H,12,14).
What are the key properties of 5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol?
5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol has a molecular weight of 258.39 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol is sourced from PubChem (CID 107204436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).