N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine

C11H21N3OS — CID 80624766

IUPACN-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCCCCCCOc1nnc(CNCC)s1
InChIInChI=1S/C11H21N3OS/c1-3-5-6-7-8-15-11-14-13-10(16-11)9-12-4-2/h12H,3-9H2,1-2H3
InChIKeyHYZHWXAMOKMJCE-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.61
Rot. Bonds9

About N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine

N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine (PubChem CID 80624766) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
PubChem CID80624766
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCCCCCCOc1nnc(CNCC)s1
InChIInChI=1S/C11H21N3OS/c1-3-5-6-7-8-15-11-14-13-10(16-11)9-12-4-2/h12H,3-9H2,1-2H3
InChIKeyHYZHWXAMOKMJCE-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.61
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

N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80623305
N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine
CID 80624767
1-(5-heptoxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine
CID 80623732
N-[[5-(3-methoxypropoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624548
N-[(5-heptoxy-1,3,4-thiadiazol-2-yl)methyl]propan-2-amine
CID 80623503
N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
CID 80623515
N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 106205491
N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623914
1-[5-(2-butoxyethoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 80624285
N-[[5-[(E)-3-phenylprop-2-enoxy]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624574
N-[[5-(3,5-dimethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624392
N-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80624765

Frequently Asked Questions

What is the IUPAC name of N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine (CID 80624766) is N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine is CCCCCCOc1nnc(CNCC)s1.
What is the InChIKey of N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The InChIKey is HYZHWXAMOKMJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-3-5-6-7-8-15-11-14-13-10(16-11)9-12-4-2/h12H,3-9H2,1-2H3.
What are the key properties of N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine has a molecular weight of 243.38 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 80624766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).