N-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine

C12H17N3O2S — CID 79084228

IUPACN-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCCc1ccc(-c2nnc(CNCCOC)s2)o1
InChIInChI=1S/C12H17N3O2S/c1-3-9-4-5-10(17-9)12-15-14-11(18-12)8-13-6-7-16-2/h4-5,13H,3,6-8H2,1-2H3
InChIKeyJUTCOLAJEGUQEE-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.10
Rot. Bonds7

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

N-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 79084228) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID79084228
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCCc1ccc(-c2nnc(CNCCOC)s2)o1
InChIInChI=1S/C12H17N3O2S/c1-3-9-4-5-10(17-9)12-15-14-11(18-12)8-13-6-7-16-2/h4-5,13H,3,6-8H2,1-2H3
InChIKeyJUTCOLAJEGUQEE-UHFFFAOYSA-N
XLogP2.10
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 79084311
2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 102922976
N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 107942017
N-[[5-(5-bromo-4-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 79996523
2-methoxy-N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 114877363
2-methoxy-N-[[5-(4-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623634
2-methoxy-N-[[5-(2-thiophen-2-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80620130
2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 112605807
N-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 80620284
methyl 4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]benzoate;dihydrochloride
CID 17332913
N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106894431
1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17333543

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine (CID 79084228) is N-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine is CCc1ccc(-c2nnc(CNCCOC)s2)o1.
What is the InChIKey of N-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is JUTCOLAJEGUQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-9-4-5-10(17-9)12-15-14-11(18-12)8-13-6-7-16-2/h4-5,13H,3,6-8H2,1-2H3.
What are the key properties of N-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine?
N-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 267.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 79084228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).